Kauzmann, Walter
2012-01-01
Monograph and text supplement for first-year students of physical chemistry focuses chiefly on the molecular basis of important thermodynamic properties of gases, including pressure, temperature, and thermal energy. 1966 edition.
Kinetic Theory of Granular Gases
Trizac, Emmanuel [Center of Theoretical Biological Physics, UC San Diego, La Jolla, CA 92093-0374 (United States); Laboratoire de Physique Theorique et Modeles Statistiques, Campus Universitaire, 91405 Orsay (France)
2005-11-25
Granular gases are composed of macroscopic bodies kept in motion by an external energy source such as a violent shaking. The behaviour of such systems is quantitatively different from that of ordinary molecular gases: due to the size of the constituents, external fields have a stronger effect on the dynamics and, more importantly, the kinetic energy of the gas is no longer a conserved quantity. The key role of the inelasticity of collisions has been correctly appreciated for about fifteen years, and the ensuing consequences in terms of phase behaviour or transport properties studied in an increasing and now vast body of literature. The purpose of this book is to help the newcomer to the field in acquiring the essential theoretical tools together with some numerical techniques. As emphasized by the authors-who were among the pioneers in the domain- the content could be covered in a one semester course for advanced undergraduates, or it could be incorporated in a more general course dealing with the statistical mechanics of dissipative systems. The book is self-contained, clear, and avoids mathematical complications. In order to elucidate the main physical ideas, heuristic points of views are sometimes preferred to a more rigorous route that would lead to a longer discussion. The 28 chapters are short; they offer exercises and worked examples, solved at the end of the book. Each part is supplemented with a relevant foreword and a useful summary including take-home messages. The editorial work is of good quality, with very few typographical errors. In spite of the title, kinetic theory stricto sensu is not the crux of the matter covered. The authors discuss the consequences of the molecular chaos assumption both at the individual particle level and in terms of collective behaviour. The first part of the book addresses the mechanics of grain collisions. It is emphasized that considering the coefficient of restitution {epsilon} -a central quantity governing the
Kinetic Theory of Granular Gases
Trizac, Emmanuel
2005-01-01
Granular gases are composed of macroscopic bodies kept in motion by an external energy source such as a violent shaking. The behaviour of such systems is quantitatively different from that of ordinary molecular gases: due to the size of the constituents, external fields have a stronger effect on the dynamics and, more importantly, the kinetic energy of the gas is no longer a conserved quantity. The key role of the inelasticity of collisions has been correctly appreciated for about fifteen years, and the ensuing consequences in terms of phase behaviour or transport properties studied in an increasing and now vast body of literature. The purpose of this book is to help the newcomer to the field in acquiring the essential theoretical tools together with some numerical techniques. As emphasized by the authors-who were among the pioneers in the domain- the content could be covered in a one semester course for advanced undergraduates, or it could be incorporated in a more general course dealing with the statistical mechanics of dissipative systems. The book is self-contained, clear, and avoids mathematical complications. In order to elucidate the main physical ideas, heuristic points of views are sometimes preferred to a more rigorous route that would lead to a longer discussion. The 28 chapters are short; they offer exercises and worked examples, solved at the end of the book. Each part is supplemented with a relevant foreword and a useful summary including take-home messages. The editorial work is of good quality, with very few typographical errors. In spite of the title, kinetic theory stricto sensu is not the crux of the matter covered. The authors discuss the consequences of the molecular chaos assumption both at the individual particle level and in terms of collective behaviour. The first part of the book addresses the mechanics of grain collisions. It is emphasized that considering the coefficient of restitution ε -a central quantity governing the inelasticity of
Kinetic theory of nonideal gases and nonideal plasmas
Klimontovich, Yu L
2013-01-01
Kinetic Theory of Nonideal Gases and Nonideal Plasmas presents the fundamental aspects of the kinetic theory of gases and plasmas. The book consists of three parts, which attempts to present some of the ideas, methods and applications in the study of the kinetic processes in nonideal gases and plasmas. The first part focuses on the classical kinetic theory of nonideal gases. The second part discusses the classical kinetic theory of fully ionized plasmas. The last part is devoted to the quantum kinetic theory of nonideal gases and plasmas. A concluding chapter is included, which presents a shor
Kinetic theory of gases and plasmas
Schram, P.P.J.M.
1991-01-01
Kinetic theory provides the link between the non-equilibrium statistical mechanics of many-particle systems and macroscopic or phenomenological physics. This volume deals with the derivation of kinetic equations, their limitations and generalizations,and with the applications of kinetic theory to physical phenomena and the calculation of transport coefficients. This book is divided in 12 chapters which discuss a wide range of topics such as balanced equations, the Klimontovich, Vlasov-Maxwell, and Boltzmann equations, Chapman-Enskog theory, the kinetic theory of plasmas, B.G.K. models, linear response theory, Brownian motion and renormalized kinetic theory. Each chapter is concluded with exercises, which not only enable the readers to test their understanding of the theory, but also present additional examples which complement the text. 151 refs.; 35 figs.; 5 tabs
Analyzing Students’ Level of Understanding on Kinetic Theory of Gases
Nurhuda, T.; Rusdiana, D.; Setiawan, W.
2017-02-01
The purpose of this research is to analysis students’ level of understanding on gas kinetic theory. The method used is descriptive analytic with 32 students at the 11th grade of one high school in Bandung city as a sample. The sample was taken using random sampling technique. Data collection tool used is an essay test with 23 questions. The instrument was used to identify students’ level of understanding and was judged by four expert judges before it was employed, from 27 questions become to 23 questions, for data collection. Questions used are the conceptual understanding including the competence to explain, extrapolate, translate and interpret. Kinetic theory of gases section that was tested includes ideal gas law, kinetic molecular theory and equipartition of energy. The result shows from 0-4 level of understanding, 19% of the students have partial understanding on the 3th level and 81% of them have partial understanding with a specific misconception on 2th level. For the future research, it is suggested to overcome these conceptual understanding with an Interactive Lecture Demonstrations teaching model and coupled with some teaching materials based on multi-visualization because kinetic theory of gases is a microscopic concept.
Kinetic theory for dilute cohesive granular gases with a square well potential.
Takada, Satoshi; Saitoh, Kuniyasu; Hayakawa, Hisao
2016-07-01
We develop the kinetic theory of dilute cohesive granular gases in which the attractive part is described by a square well potential. We derive the hydrodynamic equations from the kinetic theory with the microscopic expressions for the dissipation rate and the transport coefficients. We check the validity of our theory by performing the direct simulation Monte Carlo.
Kinetic theory for dilute cohesive granular gases with a square well potential
Takada, Satoshi; Saitoh, K.; Hayakawa, Hisao
2016-01-01
We develop the kinetic theory of dilute cohesive granular gases in which the attractive part is described by a square well potential. We derive the hydrodynamic equations from the kinetic theory with the microscopic expressions for the dissipation rate and the transport coefficients. We check the
Kinetic Theory Derivation of the Adiabatic Law for Ideal Gases.
Sobel, Michael I.
1980-01-01
Discusses how the adiabatic law for ideal gases can be derived from the assumption of a Maxwell-Boltzmann (or any other) distribution of velocities--in contrast to the usual derivations from thermodynamics alone, and the higher-order effect that leads to one-body viscosity. An elementary derivation of the adiabatic law is given. (Author/DS)
Gabetta, Ester
2007-01-01
The study of kinetic equations related to gases, semiconductors, photons, traffic flow, and other systems has developed rapidly in recent years because of its role as a mathematical tool in many applications in areas such as engineering, meteorology, biology, chemistry, materials science, nanotechnology, and pharmacy. Written by leading specialists in their respective fields, this book presents an overview of recent developments in the field of mathematical kinetic theory with a focus on modeling complex systems, emphasizing both mathematical properties and their physical meaning. The overall presentation covers not only modeling aspects and qualitative analysis of mathematical problems, but also inverse problems, which lead to a detailed assessment of models in connection with their applications, and to computational problems, which lead to an effective link of models to the analysis of real-world systems. "Transport Phenomena and Kinetic Theory" is an excellent self-study reference for graduate students, re...
Transport in simple liquids and dense gases: kinetic mean-field theory and the KAC limit
Karkheck, J.; Stell, G.; Martina, E.
1982-01-01
Maximization of entropy is used in conjunction with the BBGKY hierarchy to obtain a closed one-particle kinetic equation. For an interparticle potential of hard-sphere core plus smooth attractive tail, this equation contains a hard-core collision integral, identical to that of the revised Enskog theory, plus a mean-field term which is linear in the tail strength. The thermodynamics contained therein leads directly to the now-standard statistical-mechanical methods to construct a state-dependent effective hard-core potential in relation to a more realistic potential. These methods induce an extension of the transport coefficients to the Lennard-Jones potential. Predictions of the resulting transport theory compare very favorably with thermal conductivity and shear viscosity experimental results for real simple liquids and dense gases, and also with molecular dynamics simulation results. Poor agreement between theory and experiment is found for moderately dense and dilute gases. The kinetic theory also contains an entropy functional and an H-theorem is proven. Extension to mixtures is straightforward and the Kac-limit is discussed in detail
Profile of student’s understanding in Kinetic Theory of Gases
Putri, E. E. R.; Sukarmin; Cari
2018-04-01
Students in eleven grade had a different style for answering the physics problems. They could do anything to solve the problem. The way they thought and revealed it into the answer in many styles could be used as a data to know their conception. One of the sub-chapter in physics was the effective velocity of gases. It included in Kinetic Theory of Gases. It was one of the most difficult scientific theories to accept. This research aimed to identify student’s understanding in effective velocity of gases problem. The research was qualitative research. It was taken place at MAN Yogyakarta I in semester two on grade eleven. The obtained datas were collected by test sheet that contained of essay form. The respondents were all of the students in XI MIA 3. The data was analyzed by quantitative analysis using rubric of scoring in essay test and it contained of two problems. The results were the students had resolved the test and it was divided into three categories which are high 10,42%, medium 29,17%, and low 50,00%.
Nataša Erceg
2016-11-01
Full Text Available In this study, we investigated students’ understanding of concepts related to the microscopic model of gas. We thoroughly reviewed the relevant literature and conducted think alouds with students by asking them to answer open-ended questions about the kinetic molecular theory of gases. Thereafter, we transformed the open-ended questions into multiple-choice questions, whereby distractors were based on the results of the think alouds. Thus, we obtained a set of 22 questions, which constitutes our current version of the kinetic molecular theory of gases concept inventory. The inventory has been administered to 250 students from different universities in Croatia, and its content validity has been investigated trough physics teacher surveys. The results of our study not only corroborate the existence of some already known student misconceptions, but also reveal new insights about a great spectrum of students’ misconceptions that had not been reported in earlier research (e.g., misconceptions about intermolecular potential energy and molecular velocity distribution. Moreover, we identified similar distribution of students’ responses across the surveyed student groups, despite the fact that they had been enrolled in different curricular environments.
Elliott, J.A.
1993-01-01
Plasma kinetic theory is discussed and a comparison made with the kinetic theory of gases. The plasma is described by a modified set of fluid equations and it is shown how these fluid equations can be derived. (UK)
Discovering the Gas Laws and Understanding the Kinetic Theory of Gases with an iPad App
Davies, Gary B.
2017-01-01
Carrying out classroom experiments that demonstrate Boyle's law and Gay-Lussac's law can be challenging. Even if we are able to conduct classroom experiments using pressure gauges and syringes, the results of these experiments do little to illuminate the kinetic theory of gases. However, molecular dynamics simulations that run on computers allow…
Theory of warm ionized gases: equation of state and kinetic Schottky anomaly.
Capolupo, A; Giampaolo, S M; Illuminati, F
2013-10-01
Based on accurate Lennard-Jones-type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analog in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed. In particular, the predicted plasma electron density in a sonoluminescent bubble turns out to be in good agreement with the value measured in recent experiments.
Microscopic theory of warm ionized gases: equation of state and kinetic Schottky anomaly
Capolupo, A; Giampaolo, S M; Illuminati, F
2013-01-01
Based on accurate Lennard-Jones type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analogue in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed.
Irreversible processes kinetic theory
Brush, Stephen G
2013-01-01
Kinetic Theory, Volume 2: Irreversible Processes deals with the kinetic theory of gases and the irreversible processes they undergo. It includes the two papers by James Clerk Maxwell and Ludwig Boltzmann in which the basic equations for transport processes in gases are formulated, together with the first derivation of Boltzmann's ""H-theorem"" and a discussion of this theorem, along with the problem of irreversibility.Comprised of 10 chapters, this volume begins with an introduction to the fundamental nature of heat and of gases, along with Boltzmann's work on the kinetic theory of gases and s
Prastiwi, A. C.; Kholiq, A.; Setyarsih, W.
2018-03-01
The purposed of this study are to analyse reduction of students’ misconceptions after getting ECIRR with virtual simulation. The design of research is the pre-experimental design with One Group Pretest-Posttest Design. Subjects of this research were 36 students of class XI MIA-5 SMAN 1 Driyorejo Gresik 2015/2016 school year. Students misconceptions was determined by Three-tier Diagnostic Test. The result shows that the average percentage of misconceptions reduced on topics of ideal gas law, equation of ideal gases and kinetic theory of gases respectively are 38%, 34% and 38%.
Kinetic theory of neutron gases. Progress report, October 1, 1974--June 30, 1975
Goldstein, H.; Cacuci, D.; Ku, L.P.; Ostrow, S.; Peng, W.
1975-01-01
Interim progress reports are presented on four investigations involving the transport of fast neutrons. The common theme tying together the four research projects is the manner in which details of microscopic cross sections affect the macroscopic transport behavior of neutron gases in material media. In the first, the classic problem of transport and slowing down in a non-hydrogenous medium with constant cross section is being reexamined, using Case's method of singular eigenfunctions. Both the asymptotic limit derived by Wick and the age-theory extreme have been recovered, and higher order corrections to these are being derived. Semi-numerical techniques have been developed which should permit calculation of the flux over wide ranges of distance and lethargy. The second investigation is the study of the effects of square-well minima in otherwise constant cross sections. A specialized moments-method code has been developed for the purpose, which gives the flux as far out as 80 to 100 mfp from the source. A simple but highly accurate model has been developed to include the effects of the minima, and it is now feasible to predict under what conditions a given minimum will significantly affect the penetration. In the third study Monte Carlo has been used to obtain the characteristics of neutron histories penetrating to various distances and energies in iron. The role of such cross section phenomena as inelastic scattering and cross section minima is being elucidated. In the last investigation, the discrete energy S/sub N/ method is being applied to various transport problems difficult of access by other methods. For example, an examination is under way of the dependence of fast-neutron albedo on the form of representation of the scattered neutron distribution and on the fine structure of the cross section. (U.S.)
Discovering the gas laws and understanding the kinetic theory of gases with an iPad app
Davies, Gary B.
2017-07-01
Carrying out classroom experiments that demonstrate Boyle’s law and Gay-Lussac’s law can be challenging. Even if we are able to conduct classroom experiments using pressure gauges and syringes, the results of these experiments do little to illuminate the kinetic theory of gases. However, molecular dynamics simulations that run on computers allow us to visualise the behaviour of individual particles and to link this behaviour to the bulk properties of the gas e.g. its pressure and temperature. In this article, I describe how to carry out ‘computer experiments’ using a commercial molecular dynamics iPad app called Atoms in Motion [1]. Using the app, I show how to obtain data from simulations that demonstrate Boyle’s law and Gay-Lussac’s law, and hence also the combined gas law.
Kinetic theory and transport phenomena
Soto, Rodrigo
2016-01-01
This textbook presents kinetic theory, which is a systematic approach to describing nonequilibrium systems. The text is balanced between the fundamental concepts of kinetic theory (irreversibility, transport processes, separation of time scales, conservations, coarse graining, distribution functions, etc.) and the results and predictions of the theory, where the relevant properties of different systems are computed. The book is organised in thematic chapters where different paradigmatic systems are studied. The specific features of these systems are described, building and analysing the appropriate kinetic equations. Specifically, the book considers the classical transport of charges, the dynamics of classical gases, Brownian motion, plasmas, and self-gravitating systems, quantum gases, the electronic transport in solids and, finally, semiconductors. Besides these systems that are studied in detail, concepts are applied to some modern examples including the quark–gluon plasma, the motion of bacterial suspen...
Robson, R. E.; White, R. D.; Morrison, Michael A.
2003-10-01
We commence a fundamental re-examination of the kinetic theory of charged particle swarms in molecular gases, focusing on collisional excitation of molecular rotational and ro-vibrational states by electrons. Modern day analysis of electron swarms has been based upon the kinetic equation of Wang-Chang et al, which simply treats all processes as scalar energy excitations, and ignores angular momentum conservation and the vector dynamics associated with rotational excitation. It is pointed out that there is no alternative, more exact kinetic equation readily available for electrons which enables one to directly ascertain the degree of error introduced by this approximation. Thus in this preliminary study, we approach the problem indirectly, from the standpoint of the neutral molecules, using the Waldmann-Snider quantum kinetic equation, and insist that an electron-molecule collision must look the same from the perspective of both electron and molecule. We give a formula for quantitatively assessing the importance of scalar versus vectorial treatments of rotational excitation by looking at the post-collisional 'echo' produced by an electron swarm as it passes through the gas. It is then pointed out that in order to remedy any deficiency, it will be necessary to introduce a kinetic collisional operator non-local in space to properly account for angular momentum conservation, as has long been established in the literature. This is a major exercise and given the preliminary nature of this study, we consider the inclusion of such effects from a formal point of view only. In particular we show how non-local effects lead to a spatially dependent 'source' term in the equation of continuity, and hence to corrections for both drift velocity and diffusion coefficients. The magnitude of these corrections has yet to be established.
Robson, R E; White, R D; Morrison, Michael A
2003-01-01
We commence a fundamental re-examination of the kinetic theory of charged particle swarms in molecular gases, focusing on collisional excitation of molecular rotational and ro-vibrational states by electrons. Modern day analysis of electron swarms has been based upon the kinetic equation of Wang-Chang et al, which simply treats all processes as scalar energy excitations, and ignores angular momentum conservation and the vector dynamics associated with rotational excitation. It is pointed out that there is no alternative, more exact kinetic equation readily available for electrons which enables one to directly ascertain the degree of error introduced by this approximation. Thus in this preliminary study, we approach the problem indirectly, from the standpoint of the neutral molecules, using the Waldmann-Snider quantum kinetic equation, and insist that an electron-molecule collision must look the same from the perspective of both electron and molecule. We give a formula for quantitatively assessing the importance of scalar versus vectorial treatments of rotational excitation by looking at the post-collisional 'echo' produced by an electron swarm as it passes through the gas. It is then pointed out that in order to remedy any deficiency, it will be necessary to introduce a kinetic collisional operator non-local in space to properly account for angular momentum conservation, as has long been established in the literature. This is a major exercise and given the preliminary nature of this study, we consider the inclusion of such effects from a formal point of view only. In particular we show how non-local effects lead to a spatially dependent 'source' term in the equation of continuity, and hence to corrections for both drift velocity and diffusion coefficients. The magnitude of these corrections has yet to be established
Meijer, A.S.; Wijn, de A.S.; Peters, M.F.E.; Dam, N.J.; Water, van de W.
2010-01-01
We investigate coherent Rayleigh–Brillouin spectroscopy as an efficient process to measure the bulk viscosity of gases at gigahertz frequencies. Scattered spectral distributions are measured using a Fizeau spectrometer. We discuss the statistical error due to the fluctuating mode structure of the
Vereshchagin, Gregory V.; Aksenov, Alexey G.
2017-02-01
Preface; Acknowledgements; Acronyms and definitions; Introduction; Part I. Theoretical Foundations: 1. Basic concepts; 2. Kinetic equation; 3. Averaging; 4. Conservation laws and equilibrium; 5. Relativistic BBGKY hierarchy; 6. Basic parameters in gases and plasmas; Part II. Numerical Methods: 7. The basics of computational physics; 8. Direct integration of Boltzmann equations; 9. Multidimensional hydrodynamics; Part III. Applications: 10. Wave dispersion in relativistic plasma; 11. Thermalization in relativistic plasma; 12. Kinetics of particles in strong fields; 13. Compton scattering in astrophysics and cosmology; 14. Self-gravitating systems; 15. Neutrinos, gravitational collapse and supernovae; Appendices; Bibliography; Index.
Kinetic mean field theories: Results of energy constraint in maximizing entropy
Stell, G.; Karkheck, J.; Beijeren, H. van
1983-01-01
Structure of liquids and solids; crystallography Classical, semiclassical, and quantum theories of liquid structure Statistical theories of liquid structure - Kinetic and transport theory of fluids; physical properties of gases Kinetic and transport theory
Relativistic Chiral Kinetic Theory
Stephanov, Mikhail
2016-01-01
This very brief review of the recent progress in chiral kinetic theory is based on the results of Refs. [J.-Y. Chen, D. T. Son, M. A. Stephanov, H.-U. Yee, Y. Yin, Lorentz Invariance in Chiral Kinetic Theory, Phys. Rev. Lett. 113 (18) (2014) 182302. doi: (10.1103/PhysRevLett.113.182302); J.-Y. Chen, D. T. Son, M. A. Stephanov, Collisions in Chiral Kinetic Theory, Phys. Rev. Lett. 115 (2) (2015) 021601. doi: (10.1103/PhysRevLett.115.021601); M. A. Stephanov, H.-U. Yee, The no-drag frame for anomalous chiral fluid, Phys. Rev. Lett. 116 (12) (2016) 122302. doi: (10.1103/PhysRevLett.116.122302)].
Relativistic Chiral Kinetic Theory
Stephanov, Mikhail
2016-12-15
This very brief review of the recent progress in chiral kinetic theory is based on the results of Refs. [J.-Y. Chen, D. T. Son, M. A. Stephanov, H.-U. Yee, Y. Yin, Lorentz Invariance in Chiral Kinetic Theory, Phys. Rev. Lett. 113 (18) (2014) 182302. doi: (10.1103/PhysRevLett.113.182302); J.-Y. Chen, D. T. Son, M. A. Stephanov, Collisions in Chiral Kinetic Theory, Phys. Rev. Lett. 115 (2) (2015) 021601. doi: (10.1103/PhysRevLett.115.021601); M. A. Stephanov, H.-U. Yee, The no-drag frame for anomalous chiral fluid, Phys. Rev. Lett. 116 (12) (2016) 122302. doi: (10.1103/PhysRevLett.116.122302)].
Bonitz, Michael
2016-01-01
This book presents quantum kinetic theory in a comprehensive way. The focus is on density operator methods and on non-equilibrium Green functions. The theory allows to rigorously treat nonequilibrium dynamics in quantum many-body systems. Of particular interest are ultrafast processes in plasmas, condensed matter and trapped atoms that are stimulated by rapidly developing experiments with short pulse lasers and free electron lasers. To describe these experiments theoretically, the most powerful approach is given by non-Markovian quantum kinetic equations that are discussed in detail, including computational aspects.
On the kinetic theory of quantum systems
Calkoen, C.J.
1986-01-01
The contents of this thesis which deals with transport phenomena of specific gases, plasmas and fluids, can be separated into two distinct parts. In the first part a statistical way is suggested to estimate the neutrino mass. Herefore use is made of the fact that massive neutrinos possess a non-zero volume viscosity in contrast with massless neutrinos. The second part deals with kinetic theory of strongly condensed quantum systems of which examples in nature are: liquid Helium, heavy nuclei, electrons in a metal and the interior of stars. In degenerate systems fermions in general interact strongly so that ordinary kinetic theory is not directly applicable. For such cases Landau-Fermi-liquid theory, in which the strongly interacting particles are replaced by much weaker interacting quasiparticles, proved to be very useful. A method is developed in this theory to calculate transport coefficients. Applications of this method on liquid 3 Helium yield surprisingly good agreement with experimental results for thermal conductivities. (Auth.)
Heat and Kinetic Theory in 19th-Century Physics Textbooks: The Case of Spain.
Vaquero, Jose M.; Santos, Andres
2001-01-01
Presents an analysis of the contents of 19th century Spanish textbooks. These textbooks are centered on imponderable fluids, the concept of energy, the mechanical theory of heat, and the kinetic theory of gases. (SAH)
Gyrocenter-gauge kinetic theory
Qin, H.; Tang, W.M.; Lee, W.W.
2000-01-01
Gyrocenter-gauge kinetic theory is developed as an extension of the existing gyrokinetic theories. In essence, the formalism introduced here is a kinetic description of magnetized plasmas in the gyrocenter coordinates which is fully equivalent to the Vlasov-Maxwell system in the particle coordinates. In particular, provided the gyroradius is smaller than the scale-length of the magnetic field, it can treat high frequency range as well as the usual low frequency range normally associated with gyrokinetic approaches. A significant advantage of this formalism is that it enables the direct particle-in-cell simulations of compressional Alfven waves for MHD applications and of RF waves relevant to plasma heating in space and laboratory plasmas. The gyrocenter-gauge kinetic susceptibility for arbitrary wavelength and arbitrary frequency electromagnetic perturbations in a homogeneous magnetized plasma is shown to recover exactly the classical result obtained by integrating the Vlasov-Maxwell system in the particle coordinates. This demonstrates that all the waves supported by the Vlasov-Maxwell system can be studied using the gyrocenter-gauge kinetic model in the gyrocenter coordinates. This theoretical approach is so named to distinguish it from the existing gyrokinetic theory, which has been successfully developed and applied to many important low-frequency and long parallel wavelength problems, where the conventional meaning of gyrokinetic has been standardized. Besides the usual gyrokinetic distribution function, the gyrocenter-gauge kinetic theory emphasizes as well the gyrocenter-gauge distribution function, which sometimes contains all the physics of the problems being studied, and whose importance has not been realized previously. The gyrocenter-gauge distribution function enters Maxwell's equations through the pull-back transformation of the gyrocenter transformation, which depends on the perturbed fields. The efficacy of the gyrocenter-gauge kinetic approach is
The Einstein-Vlasov System/Kinetic Theory.
Andréasson, Håkan
2011-01-01
The main purpose of this article is to provide a guide to theorems on global properties of solutions to the Einstein-Vlasov system. This system couples Einstein's equations to a kinetic matter model. Kinetic theory has been an important field of research during several decades in which the main focus has been on non-relativistic and special relativistic physics, i.e., to model the dynamics of neutral gases, plasmas, and Newtonian self-gravitating systems. In 1990, Rendall and Rein initiated a mathematical study of the Einstein-Vlasov system. Since then many theorems on global properties of solutions to this system have been established. This paper gives introductions to kinetic theory in non-curved spacetimes and then the Einstein-Vlasov system is introduced. We believe that a good understanding of kinetic theory in non-curved spacetimes is fundamental to a good comprehension of kinetic theory in general relativity.
Kinetic theory of radiation effects
Mansur, L.K.
1987-01-01
To help achieve the quantitative and mechanistic understanding of these processes, the kinetic theory of radiation effects has been developed in the DOE basic energy sciences radiation effects and fusion reactor materials programs, as well as in corresponding efforts in other countries. This discipline grapples with a very wide range of phenomena and draws on numerous sub-fields of theory such as defect physics, diffusion, elasticity, chemical reaction rates, phase transformations and thermodynamics. The theory is cast in a mathematical framework of continuum dynamics. Issues particularly relevant to the present inquiry can be viewed from the standpoints of applications of the theory and areas requiring further progress
Kinetic Theory of Reactive Molecular Gases
2009-09-01
vibrational non-equilibrium, i.e. 1 V V VD VD D V E E E E k k E kT , (35) where VDE represents the...162 The term VDE , is calculated at first order, like Dk . We can note that realistic values for VDE lie in the range 0.3-0.5 DE [13]. In
Elements of plasma kinetic theory
Guasp, J.
1976-01-01
The physical foundations of plasma kinetic equations are exposed inside a series of seminars on plasma and fusion physics. The Vlasov and collisional equations with its application range have been discussed. The momenta equations for the macroscopic magnitudes and the more usual approximations have been obtained: two fluid equations for cold and warm plasmas, magnetohydrodynamic equations and the double-adiabatic theory. (author)
Modeling in applied sciences a kinetic theory approach
Pulvirenti, Mario
2000-01-01
Modeling complex biological, chemical, and physical systems, in the context of spatially heterogeneous mediums, is a challenging task for scientists and engineers using traditional methods of analysis Modeling in Applied Sciences is a comprehensive survey of modeling large systems using kinetic equations, and in particular the Boltzmann equation and its generalizations An interdisciplinary group of leading authorities carefully develop the foundations of kinetic models and discuss the connections and interactions between model theories, qualitative and computational analysis and real-world applications This book provides a thoroughly accessible and lucid overview of the different aspects, models, computations, and methodology for the kinetic-theory modeling process Topics and Features * Integrated modeling perspective utilized in all chapters * Fluid dynamics of reacting gases * Self-contained introduction to kinetic models * Becker–Doring equations * Nonlinear kinetic models with chemical reactions * Kinet...
Eu, Byung Chan
2016-01-01
This book presents the fundamentals of irreversible thermodynamics for nonlinear transport processes in gases and liquids, as well as for generalized hydrodynamics extending the classical hydrodynamics of Navier, Stokes, Fourier, and Fick. Together with its companion volume on relativistic theories, it provides a comprehensive picture of the kinetic theory formulated from the viewpoint of nonequilibrium ensembles in both nonrelativistic and, in Vol. 2, relativistic contexts. Theories of macroscopic irreversible processes must strictly conform to the thermodynamic laws at every step and in all approximations that enter their derivation from the mechanical principles. Upholding this as the inviolable tenet, the author develops theories of irreversible transport processes in fluids (gases or liquids) on the basis of irreversible kinetic equations satisfying the H theorem. They apply regardless of whether the processes are near to or far removed from equilibrium, or whether they are linear or nonlinear with respe...
Hydrodynamic limits of kinetic equations for polyatomic and reactive gases
Bisi M.
2017-03-01
Full Text Available Starting from a kinetic BGK-model for a rarefied polyatomic gas, based on a molecular structure of discrete internal energy levels, an asymptotic Chapman-Enskog procedure is developed in the asymptotic continuum limit in order to derive consistent fluid-dynamic equations for macroscopic fields at Navier-Stokes level. In this way, the model allows to treat the gas as a mixture of mono-atomic species. Explicit expressions are given not only for dynamical pressure, but also for shear stress, diffusion velocities, and heat flux. The analysis is shown to deal properly also with a mixture of reactive gases, endowed for simplicity with translational degrees of freedom only, in which frame analogous results can be achieved.
Pure Gauge theory in crystal lattice and Coulomb gases
Marchetti, D.H.U.
1985-01-01
A method for the construction of classical gases, starting from a pure gauge theory, is described. The method is applied to the U(1) gauge theory in two spatial dimensions. For this model it's seen the vaccua appearing as a consequence of the quantization ambiguity. The connection between the vaccua and the confinement is discussed. (Author) [pt
Transport theory for relativistic ionized gases
Georgiou, A.
1985-01-01
The phenomenological non-equilibrium thermodynamics is adapted to the description of relativistic multicomponent plasmas. The general and special forms of matter energy-momentum tensor are given and the physical meaning of the different terms are discussed. A delicate problem of such theories, the contribution of ionized components of plasmas to the electromagnetic energy-momentum tensor is analyzed and illustrated by special examples. The relativistic form of Gibbs equation leads to the balance equation of entropy density. The theory is compared to the nonrelativistic one. The linear transport equations are derived by assuming the linear dependence of currents on deviations. The thermodynamical fluxes and forces are identified and the interference of cross phenomena is discussed. (D.Gy.)
Kinetic theory of tearing instabilities
Drake, J.F.; Lee, Y.C.
1977-01-01
The transition of the tearing instability from the collisional to the collisionless regime is investigated kinetically using a Fokker--Planck collision operator to represent electron-ion collisions. As a function of the collisionality of the plasma, the tearing instability falls into three regions, which are referred to as collisionless, semi-collisional, and collisional. The width Δ of the singular layer around kxB 0 =0 is limited by electron thermal motion along B 0 in the collisional and semi-collisional regimes and is typically smaller than rho/sub i/, the ion Larmor radius. Previously accepted theories, which are based on the assumption Δvery-much-greater-thanrho/sub i/, are found to be valid only in the collisional regime. The effects of density and temperature gradients on the instabilities are also studied. The tearing instability is only driven by the temperature gradient in the collisional and semi-collisional regimes. Numerical calculations indicate that the semi-collisional tearing instability is particularly relevant to present day high temperature tokamak discharges
Kinetic theory of fermions in curved spacetime
Fidler, Christian [Catholic University of Louvain, Center for Cosmology, Particle Physics and Phenomenology (CP3), 2, Chemin du Cyclotron, B-1348 Louvain-la-Neuve (Belgium); Pitrou, Cyril, E-mail: christian.fidler@uclouvain.be, E-mail: pitrou@iap.fr [Institut d' Astrophysique de Paris, CNRS-UMR 7095, UPMC—Paris VI, Sorbonne Universités, 98 bis Bd Arago, 75014 Paris (France)
2017-06-01
We build a statistical description of fermions, taking into account the spin degree of freedom in addition to the momentum of particles, and we detail its use in the context of the kinetic theory of gases of fermions particles. We show that the one-particle distribution function needed to write a Liouville equation is a spinor valued operator. The degrees of freedom of this function are covariantly described by an intensity function and by a polarisation vector which are parallel transported by free streaming. Collisions are described on the microscopic level and lead to a Boltzmann equation for this operator. We apply our formalism to the case of weak interactions, which at low energies can be considered as a contact interaction between fermions, allowing us to discuss the structure of the collision term for a few typical weak-interaction mediated reactions. In particular we find for massive particles that a dipolar distribution of velocities in the interacting species is necessary to generate linear polarisation, as opposed to the case of photons for which linear polarisation is generated from the quadrupolar distribution of velocities.
The Einstein-Vlasov System/Kinetic Theory
Håkan Andréasson
2002-12-01
Full Text Available The main purpose of this article is to provide a guide to theorems on global properties of solutions to the Einstein-Vlasov system. This system couples Einstein's equations to a kinetic matter model. Kinetic theory has been an important field of research during several decades in which the main focus has been on nonrelativistic and special relativistic physics, i.e., to model the dynamics of neutral gases, plasmas, and Newtonian self-gravitating systems. In 1990, Rendall and Rein initiated a mathematical study of the Einstein-Vlasov system. Since then many theorems on global properties of solutions to this system have been established. The Vlasov equation describes matter phenomenologically, and it should be stressed that most of the theorems presented in this article are not presently known for other such matter models (i.e., fluid models. This paper gives introductions to kinetic theory in non-curved spacetimes and then the Einstein-Vlasov system is introduced. We believe that a good understanding of kinetic theory in non-curved spacetimes is fundamental to good comprehension of kinetic theory in general relativity.
The unified description of kinetic and hydrodynamic processes in gases and plasmas
Klimontovich, Yu.L.
1992-01-01
The unified description of kinetic and hydrodynamic processes in gases and plasmas for all values of the Knudsen number is proposed. The generalized kinetic equation consists of the additional dissipative term and is defined by the diffusion of the distribution function in the coordinate space. This equation is used for the description of nonequilibrium processes in passive and active media. (orig.)
Unified kinetic theory in toroidal systems
Hitchcock, D.A.; Hazeltine, R.D.
1980-12-01
The kinetic theory of toroidal systems has been characterized by two approaches: neoclassical theory which ignores instabilities and quasilinear theory which ignores collisions. In this paper we construct a kinetic theory for toroidal systems which includes both effects. This yields a pair of evolution equations; one for the spectrum and one for the distribution function. In addition, this theory yields a toroidal generalization of the usual collision operator which is shown to have many similar properties - conservation laws, H theorem - to the usual collision operator
Kinetic theory of Jeans instability
Trigger, S.A.; Ershkovic, A.I.; Heijst, van G.J.F.; Schram, P.P.J.M.
2004-01-01
Kinetic treatment of the Jeans gravitational instability, with collisions taken into account, is presented. The initial-value problem for the distribution function which obeys the kinetic equation, with the collision integral conserving the number of particles, is solved. Dispersion relation is
Thermal physics kinetic theory and thermodynamics
Singh, Devraj; Yadav, Raja Ram
2016-01-01
THERMAL PHYSICS: Kinetic Theory and Thermodynamics is designed for undergraduate course in Thermal Physics and Thermodynamics. The book provides thorough understanding of the fundamental principles of the concepts in Thermal Physics. The book begins with kinetic theory, then moves on liquefaction, transport phenomena, the zeroth, first, second and third laws, thermodynamics relations and thermal conduction. The book concluded with radiation phenomenon. KEY FEATURES: * Include exercises * Short Answer Type Questions * Long Answer Type Questions * Numerical Problems * Multiple Choice Questions
Kinetic Theory of the Inner Magnetospheric Plasma
Khazanov, George V
2011-01-01
This book provides a broad introduction to the kinetic theory of space plasma physics with the major focus on the inner magnetospheric plasma. It is designed to provide a comprehensive description of the different kinds of transport equations for both plasma particles and waves with an emphasis on the applicability and limitations of each set of equations. The major topics are: Kinetic Theory of Superthermal Electrons, Kinetic Foundation of the Hydrodynamic Description of Space Plasmas (including wave-particle interaction processes), and Kinetic Theory of the Terrestrial Ring Current. Distinguishable features of this book are the analytical solutions of simplified transport equations. Approximate analytic solutions of transport phenomena are very useful because they help us gain physical insight into how the system responds to varying sources of mass, momentum and energy and also to various external boundary conditions. They also provide us a convenient method to test the validity of complicated numerical mod...
On the kinetic theory of a fully ionized gas
Bezerra Junior, A.G.; Rodbard, M.G.; Kremer, G.M.
1993-01-01
An alternative method for kinetic theory recently proposed, that combines the features of the Chapman-Enskog and Grad methods, neither using a solution of the integral equation nor the field equations of the moments, is applied to ionized gases. Like in the Grad method, the deviation from equilibrium of the moments are used. Like in the method of Grad, the deviation from equilibrium of the distribution function is written in terms of the moments of the distribution function, but the constitutive equations follow direct from the Boltzmann equation through the Chapman-Enskog method. (author)
Nonextensive kinetic theory and H-theorem in general relativity
Santos, A. P.; Silva, R.; Alcaniz, J. S.; Lima, J. A. S.
2017-11-01
The nonextensive kinetic theory for degenerate quantum gases is discussed in the general relativistic framework. By incorporating nonadditive modifications in the collisional term of the relativistic Boltzmann equation and entropy current, it is shown that Tsallis entropic framework satisfies a H-theorem in the presence of gravitational fields. Consistency with the 2nd law of thermodynamics is obtained only whether the entropic q-parameter lies in the interval q ∈ [ 0 , 2 ] . As occurs in the absence of gravitational fields, it is also proved that the local collisional equilibrium is described by the extended Bose-Einstein (Fermi-Dirac) q-distributions.
Some remarks concerning relativistic kinetic theory
Schroeter, J.
1990-01-01
The starting point of our investigation is a classical kinetic theory which includes correlational effects as well as the complete electromagnetic interaction. Also classical gravitation can be incorporated. The relativistic version of this theory is written down using some heuristic arguments. Its essential feature is the difference between terms representing gravitational interaction and the metric tensor representing geometrical properties. (author)
The kinetic theory of open systems
Klimontovich, Yu.L.
2001-01-01
This paper begins with a survey of recently obtained results in the statistical theory of open systems, including quantum open systems. Then the definition of the thermal flux in the kinetic theory is considered, further the collision nature of the Landau damping. Finally the Lamb shift and Bethe's formula are analyzed. (orig.)
Spectroscopy and kinetics of combustion gases at high temperatures
Hanson, R.K.; Bowman, C.T. [Stanford Univ., CA (United States)
1993-12-01
This program involves two complementary activities: (1) development and application of cw ring dye laser absorption methods for sensitive detection of radical species and measurement of fundamental spectroscopic parameters at high temperatures; and (2) shock tube studies of reaction kinetics relevant to combustion. Species currently under investigation in the spectroscopic portion of the research include NO and CH{sub 3}; this has necessitated the continued operated at wavelengths in the range 210-230 nm. Shock tube studies of reaction kinetics currently are focussed on reactions involving CH{sub 3} radicals.
Kinetic theory of tearing instability
Hazeltine, R.D.; Dobrott, D.; Wang, T.S.
1975-01-01
The guiding-center kinetic equation with Fokker-Planck collision term is used to study, in cylindrical geometry, a class of dissipative instabilities of which the classical tearing mode is an archetype. Variational solution of the kinetic equation obviates the use of an approximate Ohm's law or adiabatic assumption, as used in previous studies, and it provides a dispersive relation which is uniformly valid for any ratio of wave frequency to collision frequency. One result of using the rigorous collision operator is the prediction of a new instability. This instability, driven by the electron temperature gradient, is predicted to occur under the long mean-free path conditions of present tokamak experiments, and has significant features in common with the kink-like oscillations observed in such experiments
Hamiltonian kinetic theory of plasma ponderomotive processes
McDonald, S.W.; Kaufman, A.N.
1982-01-01
The nonlinear nonresonant interaction of plasma waves and particles is formulated in Hamiltonian kinetic theory which treats the wave-action and particle distributions on an equal footing, thereby displaying reciprocity relations. In the quasistatic limit, a nonlinear wave-kinetic equation is obtained. The generality of the formalism allows for applications to arbitrary geometry, with the nonlinear effects expressed in terms of the linear susceptibility
Hamiltonian kinetic theory of plasma ponderomotive processes
McDonald, S.W.; Kaufman, A.N.
1981-12-01
The nonlinear nonresonant interaction of plasma waves and particles is formulated in a Hamiltonian kinetic theory which treats the wave-action and particle distributions on an equal footing, thereby displaying reciprocity relations. In the quasistatic limit, a nonlinear wave-kinetic equation is obtained. The generality of the formalism allows for applications to arbitrary geometry, with the nonlinear effects expressed in terms of the linear susceptibility
Gases and carbon in metals - thermodynamics, kinetics, and properties. Pt. 11
Jehn, H.; Speck, H.; Fromm, E.; Hoerz, G.
1980-01-01
This issue is part of a series of data on Gases and Carbon in Metals which supplements the data compilation in the book Gase and Kohlenstoff in Metallen (Gases and Carbon in Metals), edited by E.Fromm and E.Gebhardt, Springer-Verlag, Berlin 1976. The present survey includes results from papers published after the copy deadline and recommends critically selected data. Furthermore it comprises a bibliography of relevant literature. For each element the information is given in two parts. In a first section data are listed and in a second section the relevant literature is compiled. For each element, firstly data on binary systems are presented, starting with hydrogen and followed by carbon, nitrogen, oxygen, and rare gases. Within one metal-metalloid system the data are listed under topics such as solubility, solubility limit, dissociation pressure of compounds, vapour pressure of volatile oxides, thermodynamic data, diffusion, transport parameters (effective valence, heat of transport), permeation of gases through metals, gas absorption and gas desorption kinetics, compound formation kinetics, precipitation kinetics, and property changes. (orig./GE)
Spectroscopy and Kinetics of Combustion Gases at High Temperatures
Hanson, Ronald [Stanford Univ., CA (United States); Bowman, Craig [Stanford Univ., CA (United States)
2016-02-01
This report describes our research program that involves two complementary activities: (1) development and application of cw laser absorption methods for the measurement of concentration time-histories and fundamental spectroscopic parameters for species of interest in combustion; and (2) shock tube studies of reaction kinetics relevant to combustion. This first part of this report covers research during the final three-year support period, i.e. March 2012 – November 2015. The later part of this report summarizes research conducted over multiple-year periods between March 1988 to March 2012. Publications supported by DOE for each period are summarized at the end of that report section.
An introduction to the Boltzmann equation and transport processes in gases
Kremer, Gilberto M; Colton, David
2010-01-01
This book covers classical kinetic theory of gases, presenting basic principles in a self-contained framework and from a more rigorous approach based on the Boltzmann equation. Uses methods in kinetic theory for determining the transport coefficients of gases.
Fully kinetic simulations of magnetic reconnection in partially ionised gases
Innocenti, M. E.; Jiang, W.; Lapenta, G.; Markidis, S.
2016-12-01
Magnetic reconnection has been explored for decades as a way to convert magnetic energy into kinetic energy and heat and to accelerate particles in environments as different as the solar surface, planetary magnetospheres, the solar wind, accretion disks, laboratory plasmas. When studying reconnection via simulations, it is usually assumed that the plasma is fully ionised, as it is indeed the case in many of the above-mentioned cases. There are, however, exceptions, the most notable being the lower solar atmosphere. Small ionisation fractions are registered also in the warm neutral interstellar medium, in dense interstellar clouds, in protostellar and protoplanetary accreditation disks, in tokamak edge plasmas and in ad-hoc laboratory experiments [1]. We study here how magnetic reconnection is modified by the presence of a neutral background, i.e. when the majority of the gas is not ionised. The ionised plasma is simulated with the fully kinetic Particle-In-Cell (PIC) code iPic3D [2]. Collisions with the neutral background are introduced via a Monte Carlo plug-in. The standard Monte Carlo procedure [3] is employed to account for elastic, excitation and ionization electron-neutral collisions, as well as for elastic scattering and charge exchange ion-neutral collisions. Collisions with the background introduce resistivity in an otherwise collisionless plasma and modifications of the particle distribution functions: particles (and ions at a faster rate) tend to thermalise to the background. To pinpoint the consequences of this, we compare reconnection simulations with and without background. References [1] E E Lawrence et al. Physical review letters, 110(1):015001, 2013. [2] S Markidis et al. Mathematics and Computers in Simulation, 80(7):1509-1519, 2010. [3] K Nanbu. IEEE Transactions on plasma science, 28(3):971-990, 2000.
Kinetic study of uranium carburization by different carbonated gases
Feron, Guy
1963-01-01
The kinetic study of the reaction U + CO 2 and U + CO has been performed by a thermogravimetric method on a spherical uranium powder, in temperature ranges respectively from 460 to 690 deg. C and from 570 to 850 deg. C. The reaction with carbon dioxide leads to uranium dioxide. A carbon deposition takes place at the same time. The global reactions is the result of two reactions: U + 2 CO 2 → UO 2 + 2 CO U + CO 2 → UO 2 + C The reaction with carbon monoxide leads to a mixture of dioxide UO 2 , dicarbide UC 2 and free carbon. The main reaction can be written. U + CO → 1/2 UO 2 + 1/2 UC 2 The free carbon results of the disproportionation of the carbon monoxide. A remarkable separation of the two phases UO 2 and UC 2 can be observed. A mechanism accounting for the phenomenon has been proposed. The two reactions U + CO 2 and U + CO begin with a long germination period, after which, the reaction velocity seems to be limited in both cases by the ionic diffusion of oxygen through the uranium dioxide. (author) [fr
Charge exchange of muons in gases: I. Kinetic equations
Turner, R.E.
1983-06-01
Kinetic equations for the spin density operators of the diamagnetic and paramagnetic states of the positive muon are obtained for the description of the slowing-down process encountered when high energy muons thermalize in a single component gas. The motion of this two species system is generated by the Liouville superoperators associated with the diamagnetic and paramagnetic spin Hamiltonians and by time-dependent rate superoperators which depict the probabilities per collision that an electron is captured or lost. These rates are translational averages of the appropriate Boltzmann collision operators. That is, they are momentum and position integrals of the product of either the electron capture or loss total cross section with the single particle translational density operators for the muon (or muonium) and a gas particle. These rates are time dependent because the muon (or muonium) translational density operator is time dependent. The initial amplitudes and phases of the observed thermal spin polarization in μSR experiments are then obtained in terms of the spin density operators emerging from the stopping regime
Contributions to the study of positive ion kinetics in gases
Popescu, A.
1978-01-01
Extensive studies on cesium ion kinetics in cesium and cesium-noble gas mixtures were performed. The obtained data are correlated with the measured parameters of the thermionic diodes. The mobility of atomic and molecular cesium ions at low electric fields, including zero electric field, in cesium and cesium krypton mixtures were measured using the time of flight method and a special thermionic ion detector. The atomic ion conversion into molecular ions is theoretically considered in the diffusion equation of the charged particles and the obtained analytical relation is in good agreement with the experimental cesium measured data. The reaction rate of the ion conversion in cesium is considered from these measurements. Measurements on the diffused plasma through the anode (provided with holes) of the cesium thermionic diode supply data on the anode sheath, the ratio of electronic and ionic current, electron temperature and the nature of the cesium ions (atomic or molecular) for various modes of the low voltage arc discharge. The obtained data have been used for the optimization of the thermionic diode parameters, as well as for the development of a new type of device for the detection of impurities in the air. (author)
Charge exchange of muons in gases. Kinetic equations
Turner, R.E.
1983-01-01
Kinetic equations for the spin-density operators of the diamagnetic and paramagnetic states of the positive muon are obtained for the description of the slowing-down process encountered when high-energy muons thermalize in a single-component gas. The motion of this two-species system is generated by the Liouville superoperators associated with the diamagnetic and paramagnetic spin Hamiltonians and by time-dependent rate superoperators which depict the probabilities per collision that an electron is captured or lost. These rates are translational averages of the appropriate Boltzmann collision operators. That is, they are momentum and position integrals of the product of either the electron capture or loss total cross section with the single-particle translational density operators for the muon (or muonium) and a gas particle. These rates are time dependent because the muon (or muonium) translational density operator is time dependent. The initial amplitudes and phases of the observed thermal spin polarization in muon-spin-rotation (μSR) experiments are then obtained in terms of the spin-density operators emerging from the stopping regime
Kinetic theory of free electron lasers
Hafizi, B. [Naval Research Lab., Washington, DC (United States); Roberson, C.W. [Office of Naval Research, Arlington, VA (United States)
1995-12-31
We have developed a relativistic kinetic theory of free electron lasers (FELs). The growth rate, efficiency, filling factor and radius of curvature of the radiation wave fronts are determined. We have used the theory to examine the effects of beam compression on growth rate. The theory has been extended to include self field effects on FEL operation. These effects are particularly important in compact, low voltage FELs. The surprising result is that the self field contribution to the beam quality is opposite to the emittance contribution. Hence self fields can improve beam quality, particularly in compact, low voltage FELs.
Relativistic thermodynamics and kinetic theory, with applications to cosmology
Stewart, J.M.
1973-01-01
The discussion of relativistic thermodynamics and kinetic theory with applications to cosmology also covers the fundamentals and nonequilibrium relativistic kinetic theory and applications to cosmology and astrophysics. (U.S.)
Relaxation and kinetics in scalar field theories
Boyanovsky, D.; Lawrie, I.D.; Lee, D.
1996-01-01
A new approach to the dynamics of relaxation and kinetics of thermalization in a scalar field theory is presented that incorporates the relevant time scales through the resummation of hard thermal loops. An alternative derivation of the kinetic equations for the open-quote open-quote quasiparticle close-quote close-quote distribution functions is obtained that allows a clear understanding of the different open-quote open-quote coarse-graining close-quote close-quote approximations usually involved in a kinetic description. This method leads to a systematic perturbative expansion to obtain the kinetic equations including hard thermal loop resummation and to an improvement including renormalization, off-shell effects, and contributions that change chemical equilibrium on short time scales. As a by-product of these methods we establish the equivalence between the relaxation time scale in the linearized equation of motion of the quasiparticles and the thermalization time scale of the quasiparticle distribution function in the open-quote open-quote relaxation time approximation close-quote close-quote including hard thermal loop effects. Hard thermal loop resummation dramatically modifies the scattering rate for long wavelength modes as compared to the usual (semi)classical estimate. Relaxation and kinetics are studied both in the unbroken and broken symmetry phases of the theory. The broken symmetry phase also provides the setting to obtain the contribution to the kinetic equations from processes that involve decay of a heavy scalar into light scalar particles in the medium. copyright 1996 The American Physical Society
Heat and Kinetic Theory in 19th-Century Physics Textbooks: The Case of Spain
Vaquero, J. M.; Santos, A.
2000-01-01
Spain was a scientifically backward country in the early 19th-century. The causes were various political events, the War of Independence, and the reign of Fernando VII. The introduction of contemporary physics into textbooks was therefore a slow process. An analysis of the contents of 19th-century Spanish textbooks is here presented, centred on imponderable fluids, the concept of energy, the mechanical theory of heat, and the kinetic theory of gases.
Kinetic theory for strongly coupled Coulomb systems
Dufty, James; Wrighton, Jeffrey
2018-01-01
The calculation of dynamical properties for matter under extreme conditions is a challenging task. The popular Kubo-Greenwood model exploits elements from equilibrium density-functional theory (DFT) that allow a detailed treatment of electron correlations, but its origin is largely phenomenological; traditional kinetic theories have a more secure foundation but are limited to weak ion-electron interactions. The objective here is to show how a combination of the two evolves naturally from the short-time limit for the generator of the effective single-electron dynamics governing time correlation functions without such limitations. This provides a theoretical context for the current DFT-related approach, the Kubo-Greenwood model, while showing the nature of its corrections. The method is to calculate the short-time dynamics in the single-electron subspace for a given configuration of the ions. This differs from the usual kinetic theory approach in which an average over the ions is performed as well. In this way the effective ion-electron interaction includes strong Coulomb coupling and is shown to be determined from DFT. The correlation functions have the form of the random-phase approximation for an inhomogeneous system but with renormalized ion-electron and electron-electron potentials. The dynamic structure function, density response function, and electrical conductivity are calculated as examples. The static local field corrections in the dielectric function are identified in this way. The current analysis is limited to semiclassical electrons (quantum statistical potentials), so important quantum conditions are excluded. However, a quantization of the kinetic theory is identified for broader application while awaiting its detailed derivation.
Global kinetic theory of astrophysical jets
Chang, T.
1989-01-01
We suggest that an astrophysical plasma stream flowing outward from a central object aling an open magnetic field line with decreasing field strength generally will have anisotropic velocity distributions. I particular, the electron distribution function of this type of plasma streams will contain a 'thermally populated' region and a stretche out high energy tail (or 'jet-like') region collimated in the utward direction of the magnetic field line. Our argument is based on a global, collisional, kinetic theory. Because the 'kinetic jets' are always pointed aling the outward direction of the field lines, thy are automatically collimated and will assume whatever the peculiar geometries dictated by the magnetic field. This result should be useful in the understanding of the basic structures of such diverse astrophysical objects as the extragalactic radio jets, stellar winds, the solar wind, planetary polar winds, and galactic jets. (author). 8 refs.; 2 figs
Contribution to the theory of ultracold highly polarized Fermi gases
Giraud, Sebastien
2010-01-01
This thesis deals with the N+1 body problem in highly polarized Fermi gases. This is the situation where a single atom of one spin species is immersed in a Fermi sea of atoms of the other species. The first part uses a Hamiltonian approach based on a general expansion for the wave function of the system with any number of particle-hole pairs. We show that the constructed series of successive approximations converges very rapidly and thus we get an essentially exact solution for the energy and the effective mass of the polaron. In one dimension, for two particular cases, this problem can be solved analytically. The excellent agreement with our series of approximations provides a further check of the reliability of this expansion. Finally, we consider more specifically various limiting cases, as well as the effect of the mass ratio between the two spin species. In the second part, we use the Feynman diagrams formalism to describe both the polaron and the bound state. For the polaron, we develop a theory which is equivalent to the Hamiltonian approach. For the bound state, we get again a series of successive approximations whose fast convergence is perfectly understood. Therefore, this approach provides an essentially exact solution to the problem along the whole BEC-BCS crossover. Finally, by comparing the energies of the two quasi-particles, we study the position of the polaron to bound state transition. (author)
Thermogravimetric and kinetic study of Pinyon pine in the various gases.
Kim, Seung-Soo; Shenoy, Alok; Agblevor, Foster A
2014-03-01
As a renewable resource, Pinyon pine can be converted into bio-oil, gas, and char through pyrolysis. It is known that recycling of the non-condensable gases, which are produced by fast pyrolysis, can increase liquid yield and decrease char yield. In this study, pyrolysis characteristics and kinetics of Pinyon pine were investigated in TGA using simulated non-condensable gases (N2, H2/N2, H2/CO2, and He/CO/H2). The apparent activation energy of Pinyon pine increased from 43.9 to 160.3kJ mol(-1) with increasing pyrolysis conversion from 5% to 95% in pure nitrogen, and reaction order was 1.35. When hydrogen (H2) and carbon monoxide (CO) mixtures were used as simulated gases, the maximum degradation temperature and activation energy decreased by 4-11°C and 6.1-10.2kJ/mol, respectively. The results show that recycling of non-condensable gases could positively influence the fast pyrolysis of biomass. Copyright © 2014 Elsevier Ltd. All rights reserved.
Kinetic theory of transport processes in weakly ionized gases
Odenhoven, F.J.F. van
1984-01-01
A consistent method for the treatment of a plasma of arbitrary degree of ionization is presented. This method consists of a perturbation expansion in the framework of the multiple time scales formalism. Here the results are presented for a weakly ionized gas where elastic electron-atom collisions dominate. It appears that an isotropic correction to the zeroth order Maxwellian electron distribution function is necessary. Calculated electron transport coefficients are compared with the Frost mixture rule and with other calculations. (orig.)
Heavy fuel oil pyrolysis and combustion: kinetics and evolved gases investigated by TGA-FTIR
Abdul Jameel, Abdul Gani
2017-08-24
Heavy fuel oil (HFO) obtained from crude oil distillation is a widely used fuel in marine engines and power generation technologies. In the present study, the pyrolysis and combustion of a Saudi Arabian HFO in nitrogen and in air, respectively, were investigated using non-isothermal thermo-gravimetric analysis (TGA) coupled with a Fourier-transform infrared (FTIR) spectrometer. TG and DTG (differential thermo-gravimetry) were used for the kinetic analysis and to study the mass loss characteristics due to the thermal degradation of HFO at temperatures up to 1000°C and at various heating rates of 5, 10 and 20°C/min, in air and N2 atmospheres. FTIR analysis was then performed to study the composition of the evolved gases. The TG/DTG curves during HFO combustion show the presence of three distinct stages: the low temperature oxidation (LTO); fuel decomposition (FD); and high temperature oxidation (HTO) stages. The TG/DTG curves obtained during HFO pyrolysis show the presence of two devolatilization stages similar to that seen in the LTO stage of HFO combustion. Apart from this, the TG/DTG curves obtained during HFO combustion and pyrolysis differ significantly. Kinetic analysis was also performed using the distributed activation energy model, and the kinetic parameter (E) was determined for the different stages of HFO combustion and pyrolysis processes, yielding a good agreement with the measured TG profiles. FTIR analysis showed the signal of CO2 as approximately 50 times more compared to the other pollutant gases under combustion conditions. Under pyrolytic conditions, the signal intensity of alkane functional groups was the highest followed by alkenes. The TGA-FTIR results provide new insights into the overall HFO combustion processes, which can be used to improve combustor designs and control emissions.
Diamagnetic boundary layers: a kinetic theory
Lemaire, J.; Burlaga, L.F.
1976-01-01
A kinetic theory for boundary layers associated with MHD tangential 'discontinuities' in a collisionless magnetized plasma such as those observed in the solar wind is presented. The theory consists of finding self-consistent solutions of Vlasov's equation and Maxwell's equation for stationary, one-dimensional boundary layers separating two Maxwellian plasma states. Layers in which the current is carried by electrons are found to have a thickness of the order of a few electron gyroradii, but the drift speed of the current-carrying electrons is found to exceed the Alfven speed, and accordingly such layers are not stable. Several types of layers, in which the current is carried by protons are discussed; in particular, cases in which the magnetic field intensity and/or direction changed across the layer were considered. In every case, the thickness was of the order of a few proton gyroradii and the field changed smoothly , although the characteristics depended somewhat on the boundary conditions. The drift speed was always less than the Alfven speed, consistent with stability of such structures. The results are consistent with the observations of boundary layers in the solar wind near 1 AU. (Auth.)
Stochastic chemical kinetics theory and (mostly) systems biological applications
Érdi, Péter; Lente, Gabor
2014-01-01
This volume reviews the theory and simulation methods of stochastic kinetics by integrating historical and recent perspectives, presents applications, mostly in the context of systems biology and also in combustion theory. In recent years, due to the development in experimental techniques, such as optical imaging, single cell analysis, and fluorescence spectroscopy, biochemical kinetic data inside single living cells have increasingly been available. The emergence of systems biology brought renaissance in the application of stochastic kinetic methods.
Modern quantum kinetic theory and spectral line shapes
Monchick, L.
1991-01-01
The modern quantum kinetic theory of spectral line shapes is outlined and a typical calculation of a Raman scattered line shape described. The distinguishing feature of this calculation is that it was completely ab initio and therefore constituted a test of modern quantum kinetic theory, the state of the art in computing molecular-scattering cross sections, and novel methods of solving kinetic equations. The computation employed a large assortment of tools: group theory, finite-element methods, classic methods of solving coupled sets of ordinary differential equations, graph methods of combining angular momenta, and matrix methods of solving integral equations. Agreement with experimental results was excellent. 13 refs
Qianqian Wan
2017-01-01
Full Text Available A lot of useful information is contained in the human breath gases, which makes it an effective way to diagnose diseases by detecting the typical breath gases. This work investigated the adsorption of typical lung cancer breath gases: benzene, styrene, isoprene, and 1-hexene onto the surface of intrinsic and Ni-doped single wall carbon nanotubes through density functional theory. Calculation results show that the typical lung cancer breath gases adsorb on intrinsic single wall carbon nanotubes surface by weak physisorption. Besides, the density of states changes little before and after typical lung cancer breath gases adsorption. Compared with single wall carbon nanotubes adsorption, single Ni atom doping significantly improves its adsorption properties to typical lung cancer breath gases by decreasing adsorption distance and increasing adsorption energy and charge transfer. The density of states presents different degrees of variation during the typical lung cancer breath gases adsorption, resulting in the specific change of conductivity of gas sensing material. Based on the different adsorption properties of Ni-SWCNTs to typical lung cancer breath gases, it provides an effective way to build a portable noninvasive portable device used to evaluate and diagnose lung cancer at early stage in time.
Theory of the ionization yield in gases under electron irradiation
Inokuti, M.
1974-01-01
The total number N/sub i/(T) of ionizations that an incident electron of kinetic energy T causes in a pure gas obeys an integral equation known as the Fowler equation. Its solution is shown to closely approximate N/sub i/(T) = (T -- U)/W/sub a/ for T exceeding several multiples of the first ionization energy I, where U and W/sub a/ are constants having the energy dimension. Simple formulas express U and W/sub a/ in terms of various cross sections for electron inelastic collisions with a gas molecule. In particular, U - I represents the average kinetic energy of a subionization electron. (35 refs) (U.S.)
Extended symmetries of the kinetic plasma theory models
Taranov, V.B.
2005-01-01
Symmetry extension of the kinetic theory of collisionless plasma containing particles with equal charge to mass ratio is considered. It is shown that this symmetry allows us to reduce the number of equations. Symmetries obtained for the integro-differential equations of the kinetic theory by the indirect algorithm are compared to those obtained by direct methods. The importance of additional conditions - positiveness and integrability of distribution functions, existence of their moments - is underlined
Effective potential kinetic theory for strongly coupled plasmas
Baalrud, Scott D.; Daligault, Jérôme
2016-11-01
The effective potential theory (EPT) is a recently proposed method for extending traditional plasma kinetic and transport theory into the strongly coupled regime. Validation from experiments and molecular dynamics simulations have shown it to be accurate up to the onset of liquid-like correlation parameters (corresponding to Γ ≃ 10-50 for the one-component plasma, depending on the process of interest). Here, this theory is briefly reviewed along with comparisons between the theory and molecular dynamics simulations for self-diffusivity and viscosity of the one-component plasma. A number of new results are also provided, including calculations of friction coefficients, energy exchange rates, stopping power, and mobility. The theory is also cast in the Landau and Fokker-Planck kinetic forms, which may prove useful for enabling efficient kinetic computations.
Relativistic kinetic theory with applications in astrophysics and cosmology
Vereshchagin, Gregory V
2017-01-01
Relativistic kinetic theory has widespread application in astrophysics and cosmology. The interest has grown in recent years as experimentalists are now able to make reliable measurements on physical systems where relativistic effects are no longer negligible. This ambitious monograph is divided into three parts. It presents the basic ideas and concepts of this theory, equations and methods, including derivation of kinetic equations from the relativistic BBGKY hierarchy and discussion of the relation between kinetic and hydrodynamic levels of description. The second part introduces elements of computational physics with special emphasis on numerical integration of Boltzmann equations and related approaches, as well as multi-component hydrodynamics. The third part presents an overview of applications ranging from covariant theory of plasma response, thermalization of relativistic plasma, comptonization in static and moving media to kinetics of self-gravitating systems, cosmological structure formation and neut...
Stochastic theory of interfacial enzyme kinetics: A kinetic Monte Carlo study
Das, Biswajit; Gangopadhyay, Gautam
2012-01-01
Graphical abstract: Stochastic theory of interfacial enzyme kinetics is formulated. Numerical results of macroscopic phenomenon of lag-burst kinetics is obtained by using a kinetic Monte Carlo approach to single enzyme activity. Highlights: ► An enzyme is attached with the fluid state phospholipid molecules on the Langmuir monolayer. ► Through the diffusion, the enzyme molecule reaches the gel–fluid interface. ► After hydrolysing a phospholipid molecule it predominantly leaves the surface in the lag phase. ► The enzyme is strictly attached to the surface with scooting mode of motion and the burst phase appears. - Abstract: In the spirit of Gillespie’s stochastic approach we have formulated a theory to explore the advancement of the interfacial enzyme kinetics at the single enzyme level which is ultimately utilized to obtain the ensemble average macroscopic feature, lag-burst kinetics. We have provided a theory of the transition from the lag phase to the burst phase kinetics by considering the gradual development of electrostatic interaction among the positively charged enzyme and negatively charged product molecules deposited on the phospholipid surface. It is shown that the different diffusion time scales of the enzyme over the fluid and product regions are responsible for the memory effect in the correlation of successive turnover events of the hopping mode in the single trajectory analysis which again is reflected on the non-Gaussian distribution of turnover times on the macroscopic kinetics in the lag phase unlike the burst phase kinetics.
Overview of nonlinear theory of kinetically driven instabilities
Berk, H.L.; Breizman, B.N.
1998-09-01
An overview is presented of the theory for the nonlinear behavior of instabilities driven by the resonant wave particle interaction. The approach should be applicable to a wide variety of kinetic systems in magnetic fusion devices and accelerators. Here the authors emphasize application to Alfven were driven instability, and the principles of the theory are used to interpret experimental data
Hydrodynamization and transient modes of expanding plasma in kinetic theory
Heller, Michal P.; Spalinski, Michal
2016-01-01
We study the transition to hydrodynamics in a weakly-coupled model of quark-gluon plasma given by kinetic theory in the relaxation time approximation. Our studies uncover qualitative similarities to the results on hydrodynamization in strongly coupled gauge theories. In particular, we demonstrate that the gradient expansion in this model has vanishing radius of convergence. The asymptotic character of the hydrodynamic gradient expansion is crucial for the recently discovered applicability of hydrodynamics at large gradients. Furthermore, the analysis of the resurgent properties of the series provides, quite remarkably, indication for the existence of a novel transient, damped oscillatory mode of expanding plasmas in kinetic theory.
B.B. Markiv
2010-01-01
Full Text Available For a consistent description of kinetic and hydrodynamic processes in dense gases and liquids the generalized non-Markovian equations for the nonequilibrium one-particle distribution function and potential part of the averaged enthalpy density are obtained. The inner structure of the generalized transport kernels for these equations is established. It is shown that the collision integral of the kinetic equation has the Fokker-Planck form with the generalized friction coefficient in momentum space. It also contains contributions from the generalized diffusion coefficient and dissipative processes connected with the potential part of the enthalpy density.
Vaquero Martinez, J. M.
1998-01-01
The political events occurred in the last years of the 18th century, the Independence war and the reign of Fernando VII, ruined the Spanish scientific panorama, physics included. During the 19th century, the national scientific production was restricted to textbooks and popularization works. Two kinetic derivations of the law of perfect gases corresponding to a textbook and a book about steam engines from the viewpoint of thermodynamics are presented and discussed. (Author) 16 refs
Piontkovskij, A.I.
2001-01-01
Is seen out a dominance analysis of physical and chemical matter properties on gases solubility in circulation contour NPP's heat-transfer. Is represented a concentration computation methods of gas dissolved in heat-transfer with use of in lying pressure in matter. Are analysed the computation results for diverse gases in wide range of operating parameters, and also dominance of physical and chemical gas properties on intensity of heat-exchange processes in heat-transfer with dissolved gase
Gases and carbon in metals (thermodynamics, kinetics, and properties). Pt. 10
Jehn, H.; Speck, H.; Fromm, E.; Hoerz, G.
1980-01-01
This issue is part of a series of data on Gases and Carbon in Metals which supplements the data compilation in the book Gase und Kohlenstoff in Metallen (Gases and Carbon in Metals), edited by E. Fromm and E. Gebhardt, Springer-Verlag, Berlin 1976. The present survey covers chromium and tungsten, includes results from papers published after the copy deadline and recommends critically selected data. Furthermore it comprises a bibliography of relevant literature. (GE) [de
Group-kinetic theory of turbulence
Tchen, C. M.
1986-01-01
The two phases are governed by two coupled systems of Navier-Stokes equations. The couplings are nonlinear. These equations describe the microdynamical state of turbulence, and are transformed into a master equation. By scaling, a kinetic hierarchy is generated in the form of groups, representing the spectral evolution, the diffusivity and the relaxation. The loss of memory in formulating the relaxation yields the closure. The network of sub-distributions that participates in the relaxation is simulated by a self-consistent porous medium, so that the average effect on the diffusivity is to make it approach equilibrium. The kinetic equation of turbulence is derived. The method of moments reverts it to the continuum. The equation of spectral evolution is obtained and the transport properties are calculated. In inertia turbulence, the Kolmogoroff law for weak coupling and the spectrum for the strong coupling are found. As the fluid analog, the nonlinear Schrodinger equation has a driving force in the form of emission of solitons by velocity fluctuations, and is used to describe the microdynamical state of turbulence. In order for the emission together with the modulation to participate in the transport processes, the non-homogeneous Schrodinger equation is transformed into a homogeneous master equation. By group-scaling, the master equation is decomposed into a system of transport equations, replacing the Bogoliubov system of equations of many-particle distributions. It is in the relaxation that the memory is lost when the ensemble of higher-order distributions is simulated by an effective porous medium. The closure is thus found. The kinetic equation is derived and transformed into the equation of spectral flow.
Kinetic theory of beam-induced plasmas generalised to sophisticated atomic structures
Peyraud-Cuenca, Nelly
1987-01-01
We present an analytic kinetic model available for all particle-beam-induced atomic plasmas, without any restriction on the distribution of electronic levels. The method is an iteration of the already known solution available only for the distribution of atomic levels as in the rare gases. We recall a universal atomic kinetic model which, independently of its applications to the study of efficient laser systems, might be a first step in the analytic investigation of molecular problems. Then, the iteration is systematically applied to all possible atomic structures whose number is increased by the non-local character of inelastic processes. We deduce a general analytic representation of the 'tail' of the electron distribution function as a ratio between non-local source terms and a combination of inelastic cross sections, from which we exhibit a physical interpretation and essential scaling laws. The theory is applied to sodium which is an important element in the research of efficient laser systems. (author)
The Students’ misconceptions profile on chapter gas kinetic theory
Jauhariyah, M. N. R.; Suprapto, N.; Suliyanah; Admoko, S.; Setyarsih, W.; Harizah, Z.; Zulfa, I.
2018-03-01
Students have conception and misconceptions in the learning process. Misconceptions are caused by the teacher, students, and learning source. In the previous study, the researcher developed a misconception diagnosis instrument using three-tier on chapter gas kinetic theory. There are 14 items including 5 sub-chapters on gas kinetic theory. The profile of students’ misconceptions shows that students have misconceptions in each sub-chapter. The cause of misconceptions came from preconceptions, associative thinking, reasoning, intuition, and false negative. The highest cause of misconception in this chapter is student’s humanistic thinking.
WKB approximation and tunneling in theories with noncanonical kinetic terms
González, Mariana Carrillo; Masoumi, Ali; Solomon, Adam R.; Trodden, Mark
2017-09-01
Tunneling is a fascinating aspect of quantum mechanics that renders the local minima of a potential meta-stable, with important consequences for particle physics, for the early hot stage of the universe, and more speculatively, for the behavior of the putative multiverse. While this phenomenon has been studied extensively for systems which have canonical kinetic terms, many theories of fundamental physics contain fields with noncanonical kinetic structures. It is therefore desirable to have a detailed framework for calculating tunneling rates and initial states after tunneling for these theories. In this work we present such a rigorous formulation and illustrate its use by applying it to a number of examples.
Transition state theory for enzyme kinetics
Truhlar, Donald G.
2015-01-01
This article is an essay that discusses the concepts underlying the application of modern transition state theory to reactions in enzymes. Issues covered include the potential of mean force, the quantization of vibrations, the free energy of activation, and transmission coefficients to account for nonequilibrium effect, recrossing, and tunneling. PMID:26008760
Study on kinetics of description of gases and their mixtures through the interface
Ermashkevich, V.N.; Kachalov, A.B.; Shlejfer, A.A.; Redin, Yu.A.
1986-01-01
The velocity of release of gases into a bubble and a cavity from liquid has been described. It is shown that at simultaneous desorption of several gases dissolved in liquid, into emerging bubble the contribution of each gas is proportional to its coefficient of solubility and is independent of concentration of these gases in liquid. For gases with solubility coefficients above 1000 kg/(m 3 xMPa), partial pressure readily reaches equilibrium. Nitric oxide dissolved in nitrogen tetroxide ranks among them. Alternatively, for gases with low solubility coefficients (for example, nitrogen in N 2 O 4 ), partial pressure in the cavity (bubble) increases slowly. An effect of any gas on the desorption rate of another gas has not been observed. The study allows to evaluate some parameters in formed cavities or in moving gaseous bubbles in multicomponent mixtures (in particular, in dissociating nitrogen tetroxide and in solutions on the basis of nitrogen tetroxide)
On the kinetic theory of the one-component plasma
Cohen, J.S.
1984-01-01
In this thesis, kinetic theory is applied to transport phenomena of a one-component plasma. Existing kinetic equations, containing both dynamical screening effects and close binary collisions do not suffer from divergencies. Recently an approximation for the pair correlation function has been proposed that is valid for small values of the plasma collision parameter. Upon insertion of this expression into the general form of the collision integral, one obtains another convergent kinetic equation. This thesis shows that both kinetic equations yield the same coefficient of heat conductivity and viscosity; and that for a hot dilute plasma the arbitrary transport coefficient is rather insensitive to the pair correlation function. In the second part, the author studies the diffusion of a tagged particle in an external magnetic field. It is found that the longitudinal self-diffusion coefficient contra-varies monotonically with the magnetic field strength. (Auth.)
Kinetic theory in maximal-acceleration invariant phase space
Brandt, H.E.
1989-01-01
A vanishing directional derivative of a scalar field along particle trajectories in maximal acceleration invariant phase space is identical in form to the ordinary covariant Vlasov equation in curved spacetime in the presence of both gravitational and nongravitational forces. A natural foundation is thereby provided for a covariant kinetic theory of particles in maximal-acceleration invariant phase space. (orig.)
Linear kinetic theory and particle transport in stochastic mixtures
Pomraning, G.C. [Univ. of California, Los Angeles, CA (United States)
1995-12-31
We consider the formulation of linear transport and kinetic theory describing energy and particle flow in a random mixture of two or more immiscible materials. Following an introduction, we summarize early and fundamental work in this area, and we conclude with a brief discussion of recent results.
Kinetic theory of surface waves in plasma jets
Shokri, B.
2002-01-01
The kinetic theory analysis of surface waves propagating along a semi-bounded plasma jet is presented. The frequency spectra and their damping rate are obtained in both the high and low frequency regions. Finally, the penetration of the static field in the plasma jet under the condition that the plasma jet velocity is smaller than the sound velocity is studied
On the theory of time dilation in chemical kinetics
Baig, Mirza Wasif
2017-10-01
The rates of chemical reactions are not absolute but their magnitude depends upon the relative speeds of the moving observers. This has been proved by unifying basic theories of chemical kinetics, which are transition state theory, collision theory, RRKM and Marcus theory, with the special theory of relativity. Boltzmann constant and energy spacing between permitted quantum levels of molecules are quantum mechanically proved to be Lorentz variant. The relativistic statistical thermodynamics has been developed to explain quasi-equilibrium existing between reactants and activated complex. The newly formulated Lorentz transformation of the rate constant from Arrhenius equation, of the collision frequency and of the Eyring and Marcus equations renders the rate of reaction to be Lorentz variant. For a moving observer moving at fractions of the speed of light along the reaction coordinate, the transition state possess less kinetic energy to sweep translation over it. This results in the slower transformation of reactants into products and in a stretched time frame for the chemical reaction to complete. Lorentz transformation of the half-life equation explains time dilation of the half-life period of chemical reactions and proves special theory of relativity and presents theory in accord with each other. To demonstrate the effectiveness of the present theory, the enzymatic reaction of methylamine dehydrogenase and radioactive disintegration of Astatine into Bismuth are considered as numerical examples.
An advanced kinetic theory for morphing continuum with inner structures
Chen, James
2017-12-01
Advanced kinetic theory with the Boltzmann-Curtiss equation provides a promising tool for polyatomic gas flows, especially for fluid flows containing inner structures, such as turbulence, polyatomic gas flows and others. Although a Hamiltonian-based distribution function was proposed for diatomic gas flow, a general distribution function for the generalized Boltzmann-Curtiss equations and polyatomic gas flow is still out of reach. With assistance from Boltzmann's entropy principle, a generalized Boltzmann-Curtiss distribution for polyatomic gas flow is introduced. The corresponding governing equations at equilibrium state are derived and compared with Eringen's morphing (micropolar) continuum theory derived under the framework of rational continuum thermomechanics. Although rational continuum thermomechanics has the advantages of mathematical rigor and simplicity, the presented statistical kinetic theory approach provides a clear physical picture for what the governing equations represent.
Quantum Kinetic Theory and Applications Electrons, Photons, Phonons
Vasko, Fedir T
2006-01-01
This lecture-style monograph is addressed to several categories of readers. First, it will be useful for graduate students studying theory. Second, the topics covered should be interesting for postgraduate students of various specializations. Third, the researchers who want to understand the background of modern theoretical issues in more detail can find a number of useful results here. The phenomena covered involve kinetics of electron, phonon, and photon systems in solids. The dynamical properties and interactions of electrons, phonons, and photons are briefly described in Chapter 1. Further, in Chapters 2-8, the authors present the main theoretical methods: linear response theory, various kinetic equations for the quasiparticles under consideration, and diagram technique. The presentation of the key approaches is always accompanied by solutions of concrete problems to illustrate ways to apply the theory. The remaining chapters are devoted to various manifestations of quantum transport in solids. The choice...
Fort, J.; Cukrowski, A.S.
1998-01-01
The effect of the heat flux on the rate of chemical reaction in dilute gases is shown to be important for reactions characterized by high activation energies and in the presence of very large temperature gradients. This effect, obtained from the second-order terms in the distribution function (similar to those obtained in the Burnett approximation to the solution of the Boltzmann equation), is derived on the basis of information theory. It is shown that the analytical results describing the effect are simpler if the kinetic definition for the nonequilibrium temperature is introduced than if the thermodynamic definition is introduced. The numerical results are nearly the same for both definitions. (author)
Equilibrium properties of dense hydrogen isotope gases based on the theory of simple fluids.
Kowalczyk, Piotr; MacElroy, J M D
2006-08-03
We present a new method for the prediction of the equilibrium properties of dense gases containing hydrogen isotopes. The proposed approach combines the Feynman-Hibbs effective potential method and a deconvolution scheme introduced by Weeks et al. The resulting equations of state and the chemical potentials as functions of pressure for each of the hydrogen isotope gases depend on a single set of Lennard-Jones parameters. In addition to its simplicity, the proposed method with optimized Lennard-Jones potential parameters accurately describes the equilibrium properties of hydrogen isotope fluids in the regime of moderate temperatures and pressures. The present approach should find applications in the nonlocal density functional theory of inhomogeneous quantum fluids and should also be of particular relevance to hydrogen (clean energy) storage and to the separation of quantum isotopes by novel nanomaterials.
The Gaussian radial basis function method for plasma kinetic theory
Hirvijoki, E., E-mail: eero.hirvijoki@chalmers.se [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Candy, J.; Belli, E. [General Atomics, PO Box 85608, San Diego, CA 92186-5608 (United States); Embréus, O. [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden)
2015-10-30
Description of a magnetized plasma involves the Vlasov equation supplemented with the non-linear Fokker–Planck collision operator. For non-Maxwellian distributions, the collision operator, however, is difficult to compute. In this Letter, we introduce Gaussian Radial Basis Functions (RBFs) to discretize the velocity space of the entire kinetic system, and give the corresponding analytical expressions for the Vlasov and collision operator. Outlining the general theory, we also highlight the connection to plasma fluid theories, and give 2D and 3D numerical solutions of the non-linear Fokker–Planck equation. Applications are anticipated in both astrophysical and laboratory plasmas. - Highlights: • A radically new method to address the velocity space discretization of the non-linear kinetic equation of plasmas. • Elegant and physically intuitive, flexible and mesh-free. • Demonstration of numerical solution of both 2-D and 3-D non-linear Fokker–Planck relaxation problem.
Kinetic theory of two-temperature polyatomic plasmas
Orlac'h, Jean-Maxime; Giovangigli, Vincent; Novikova, Tatiana; Roca i Cabarrocas, Pere
2018-03-01
We investigate the kinetic theory of two-temperature plasmas for reactive polyatomic gas mixtures. The Knudsen number is taken proportional to the square root of the mass ratio between electrons and heavy-species, and thermal non-equilibrium between electrons and heavy species is allowed. The kinetic non-equilibrium framework also requires a weak coupling between electrons and internal energy modes of heavy species. The zeroth-order and first-order fluid equations are derived by using a generalized Chapman-Enskog method. Expressions for transport fluxes are obtained in terms of macroscopic variable gradients and the corresponding transport coefficients are expressed as bracket products of species perturbed distribution functions. The theory derived in this paper provides a consistent fluid model for non-thermal multicomponent plasmas.
Kinetic aspects of the embedded clusters: Reaction - Rate Theory
Despa, F.; Apostol, M.
1995-07-01
The main stages of the cluster growth process are reviewed using Reaction - Rate Theory. The precipitation stage is shown as a relaxation of the solute towards a cluster state characterized by a higher stability. The kinetic of the late stage of phase separation, the coarsening process, is analyzed by an off-centre diffusion mechanism. The theoretical results are compared to the experimental ones. (author). 37 refs, 6 figs
Kinetic theory of flocking: derivation of hydrodynamic equations.
Ihle, Thomas
2011-03-01
It is shown how to explicitly coarse-grain the microscopic dynamics of the rule-based Vicsek model for self-propelled agents. The hydrodynamic equations are derived by means of an Enskog-type kinetic theory. Expressions for all transport coefficients are given. The transition from a disordered to a flocking state, which at large particle speeds appears to be a fluctuation-induced first-order phase transition, is studied numerically and analytically.
Kinetic theory of a rarefied gas of rough spheres
Kremer, G.M.
1987-01-01
A Kinetic theory for the rarefied gas consisting of rough-spherical molecules is developed, in which a macroscopic state is characterized by the 29 scalar fields of density, velocity, pressure tensor, temperature, translational heat flux, rotational heat flux, spin and spin flux. The relations of Navier-Stokes and Fourier are obtained by the use of an iteration method akin to the Maxwellian procedure. (author) [pt
Heavy fuel oil pyrolysis and combustion: kinetics and evolved gases investigated by TGA-FTIR
Abdul Jameel, Abdul Gani; Han, Yunqing; Brignoli, Omar; Telalovic, Selvedin; Elbaz, Ayman M.; Im, Hong G.; Roberts, William L.; Sarathy, Mani
2017-01-01
investigated using non-isothermal thermo-gravimetric analysis (TGA) coupled with a Fourier-transform infrared (FTIR) spectrometer. TG and DTG (differential thermo-gravimetry) were used for the kinetic analysis and to study the mass loss characteristics due
Relativistic nuclear fluid dynamics and VUU kinetic theory
Molitoris, J.J.; Hahn, D.; Alonso, C.; Collazo, I.; D'Alessandris, P.; McAbee, T.; Wilson, J.; Zingman, J.
1987-01-01
Relativistic kinetic theory may be used to understand hot dense hadronic matter. We address the questions of collective flow and pion production in a 3 D relativistic fluid dynamic model and in the VUU microscopic theory. The GSI/LBL collective flow and pion data point to a stiff equation of state. The effect of the nuclear equation of state on the thermodynamic parameters is discussed. The properties of dense hot hadronic matter are studied in Au + Au collisions from 0.1 to 10 GeV/nucleon. 22 refs., 5 figs
Kinetic theory of spectral line broadening in plasmas
Hussey, T.W.
1974-01-01
A formal kinetic theory is used to cast the line shape function into a form that, while similar to the ''unified'' theories of Smith, Cooper, and Vidal and of Voslamber, does not introduce some of the usual approximations. The resulting line shape function explicitly includes the initial correlations between the atom and perturbers, and also demonstrates the natural separation of plasma mean field and collisional effects. The classical path and no-quenching approximations are discussed and ultimately employed; however, they are not required in the formal development. The weak coupling limit is considered as a systematic approximation to the formal results. It is shown tha different ways of applying this limit lead to different expressions for the memory operator, some of which correspond to existing theories. One approximation is considered which systematically incorporates the effects of electron correlations within the framework of a unified theory. In addition, a practical approximation suitable for a strongly interacting plasma is discussed
Kinetic theory of nonlinear transport phenomena in complex plasmas
Mishra, S. K.; Sodha, M. S.
2013-01-01
In contrast to the prevalent use of the phenomenological theory of transport phenomena, a number of transport properties of complex plasmas have been evaluated by using appropriate expressions, available from the kinetic theory, which are based on Boltzmann's transfer equation; in particular, the energy dependence of the electron collision frequency has been taken into account. Following the recent trend, the number and energy balance of all the constituents of the complex plasma and the charge balance on the particles is accounted for; the Ohmic loss has also been included in the energy balance of the electrons. The charging kinetics for the complex plasma comprising of uniformly dispersed dust particles, characterized by (i) uniform size and (ii) the Mathis, Rumpl, and Nordsieck power law of size distribution has been developed. Using appropriate expressions for the transport parameters based on the kinetic theory, the system of equations has been solved to investigate the parametric dependence of the complex plasma transport properties on the applied electric field and other plasma parameters; the results are graphically illustrated.
Transport processes in ionized gases
Kremer, G.M.
1997-01-01
Based on kinetic theory of gases and on the combined of Chapman-Enskog and Grad, the laws of Ohm, Fourier and Navier-Stokes are derived for a non-relativistic fully ionized gas. Moreover, the combined method is applied to the BGK model of the relativistic Boltzmann equation and the Ohm's law is derived for a relativistic fully ionized gas. (author)
Rethinking wave-kinetic theory applied to zonal flows
Parker, Jeffrey
2017-10-01
Over the past two decades, a number of studies have employed a wave-kinetic theory to describe fluctuations interacting with zonal flows. Recent work has uncovered a defect in this wave-kinetic formulation: the system is dominated by the growth of (arbitrarily) small-scale zonal structures. Theoretical calculations of linear growth rates suggest, and nonlinear simulations confirm, that this system leads to the concentration of zonal flow energy in the smallest resolved scales, irrespective of the numerical resolution. This behavior results from the assumption that zonal flows are extremely long wavelength, leading to the neglect of key terms responsible for conservation of enstrophy. A corrected theory, CE2-GO, is presented; it is free of these errors yet preserves the intuitive phase-space mathematical structure. CE2-GO properly conserves enstrophy as well as energy, and yields accurate growth rates of zonal flow. Numerical simulations are shown to be well-behaved and not dependent on box size. The steady-state limit simplifies into an exact wave-kinetic form which offers the promise of deeper insight into the behavior of wavepackets. The CE2-GO theory takes its place in a hierarchy of models as the geometrical-optics reduction of the more complete cumulant-expansion statistical theory CE2. The new theory represents the minimal statistical description, enabling an intuitive phase-space formulation and an accurate description of turbulence-zonal flow dynamics. This work was supported by an NSF Graduate Research Fellowship, a US DOE Fusion Energy Sciences Fellowship, and US DOE Contract Nos. DE-AC52-07NA27344 and DE-AC02-09CH11466.
Recent developments in the kinetic theory of nucleation.
Ruckenstein, E; Djikaev, Y S
2005-12-30
A review of recent progress in the kinetics of nucleation is presented. In the conventional approach to the kinetic theory of nucleation, it is necessary to know the free energy of formation of a new-phase particle as a function of its independent variables at least for near-critical particles. Thus the conventional kinetic theory of nucleation is based on the thermodynamics of the process. The thermodynamics of nucleation can be examined by using various approaches, such as the capillarity approximation, density functional theory, and molecular simulation, each of which has its own advantages and drawbacks. Relatively recently a new approach to the kinetics of nucleation was proposed [Ruckenstein E, Nowakowski B. J Colloid Interface Sci 1990;137:583; Nowakowski B, Ruckenstein E. J Chem Phys 1991;94:8487], which is based on molecular interactions and does not employ the traditional thermodynamics, thus avoiding such a controversial notion as the surface tension of tiny clusters involved in nucleation. In the new kinetic theory the rate of emission of molecules by a new-phase particle is determined with the help of a mean first passage time analysis. This time is calculated by solving the single-molecule master equation for the probability distribution function of a surface layer molecule moving in a potential field created by the rest of the cluster. The new theory was developed for both liquid-to-solid and vapor-to-liquid phase transitions. In the former case the single-molecule master equation is the Fokker-Planck equation in the phase space which can be reduced to the Smoluchowski equation owing to the hierarchy of characteristic time scales. In the latter case, the starting master equation is a Fokker-Planck equation for the probability distribution function of a surface layer molecule with respect to both its energy and phase coordinates. Unlike the case of liquid-to-solid nucleation, this Fokker-Planck equation cannot be reduced to the Smoluchowski equation
Sequence-dependent theory of oligonucleotide hybridization kinetics
Marimuthu, Karthikeyan; Chakrabarti, Raj
2014-01-01
A theoretical approach to the prediction of the sequence and temperature-dependent rate constants for oligonucleotide hybridization reactions has been developed based on the theory of relaxation kinetics. One-sided and two-sided melting reaction mechanisms for oligonucleotide hybridization reactions have been considered, analyzed, modified, and compared to select a physically consistent as well as robust model for prediction of the relaxation times of DNA hybridization reactions that agrees with the experimental evidence. The temperature- and sequence-dependent parameters of the proposed model have been estimated using available experimental data. The relaxation time model that we developed has been combined with the nearest neighbor model of hybridization thermodynamics to estimate the temperature- and sequence-dependent rate constants of an oligonucleotide hybridization reaction. The model-predicted rate constants are compared to experimentally determined rate constants for the same oligonucleotide hybridization reactions. Finally, we consider a few important applications of kinetically controlled DNA hybridization reactions
The heterogeneous interaction of trace gases on mineral dust and soot: kinetics and mechanism
Karagulian, Federico; Rossi, Michel
2007-01-01
The present thesis work deals with the investigation of the heterogeneous reactions involving nitrate radical (NO3), dinitrogen pentoxide (N2O5) and ozone (O3) on surrogates of atmospheric mineral dust particles characteristic of the troposphere. An additional investigation of heterogeneous reaction of NO3 on flame soot was carried out. The goal is to characterize the kinetics (the uptake coefficient γ) as well as the reaction products. The obtained results are intended to provide reliable da...
Multiphase Flow and Fluidization Continuum and Kinetic Theory Descriptions
Gidaspow, Dimitri
1994-01-01
Useful as a reference for engineers in industry and as an advanced level text for graduate engineering students, Multiphase Flow and Fluidization takes the reader beyond the theoretical to demonstrate how multiphase flow equations can be used to provide applied, practical, predictive solutions to industrial fluidization problems. Written to help advance progress in the emerging science of multiphase flow, this book begins with the development of the conservation laws and moves on through kinetic theory, clarifying many physical concepts (such as particulate viscosity and solids pressure) and i
Kinetic theory of the interdiffusion coefficient in dense plasmas
Boercker, D.B.
1986-08-01
Naive applications of Spitzer's theory to very dense plasmas can lead to negative diffusion coefficients. The interdiffusion coefficients in Binary Ionic Mixtures (two species of point ions in a uniform neutralizing background) have been calculated recently using molecular dynamics techniques. These calculations can provide useful benchmarks for theoretical evaluations of the diffusion coefficient in dense plasma mixtures. This paper gives a brief description of a kinetic theoretic approximation to the diffusion coefficient which generalizes Spitzer to high density and is in excellent agreement with the computer simulations. 15 refs., 1 fig., 2 tabs
Introduction to the theory of soft matter from ideal gases to liquid crystals
Selinger, Jonathan V
2016-01-01
This book presents the theory of soft matter to students at the advanced undergraduate or beginning graduate level. It provides a basic introduction to theoretical physics as applied to soft matter, explaining the concepts of symmetry, broken symmetry, and order parameters; phases and phase transitions; mean-field theory; and the mathematics of variational calculus and tensors. It is written in an informal, conversational style, which is accessible to students from a diverse range of backgrounds. The book begins with a simple “toy model” to demonstrate the physical significance of free energy. It then introduces two standard theories of phase transitions—the Ising model for ferromagnetism and van der Waals theory of gases and liquids—and uses them to illustrate principles of statistical mechanics. From those examples, it moves on to discuss order, disorder, and broken symmetry in many states of matter, and to explain the theoretical methods that are used to model the phenomena. It concludes with a cha...
Modern aspects of the kinetic theory of glass transition
Tropin, T V; Aksenov, V L; Schmelzer, J W
2016-01-01
This paper reviews glass transition kinetics models that are developed to describe the formation of structural (for example, covalent and metallic) glasses, as well as to account for the transition of a polymer to a solid glassy state. As the two approaches most frequently used over the last decade to model the glass transition, the Tool–Narayanaswamy–Moynihan model and the Adam–Gibbs theory of glass transition are described together with examples of their applications. Also discussed are entropy-based approaches that rely on irreversible thermodynamics methods originated in the work of De Donder, Mandelstam, and Leontovich. The actual problems that arise in applying these methods and the prospects of their development are discussed. A brief overview of statistical glass transition models is given, including the mode-coupling and energy-landscape theories. (reviews of topical problems)
Effective-field theory on the kinetic Ising model
Shi Xiaoling; Wei Guozhu; Li Lin
2008-01-01
As an analytical method, the effective-field theory (EFT) is used to study the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field. The effective-field equations of motion of the average magnetization are given for the square lattice (Z=4) and the simple cubic lattice (Z=6), respectively. The dynamic order parameter, the hysteresis loop area and the dynamic correlation are calculated. In the field amplitude h 0 /ZJ-temperature T/ZJ plane, the phase boundary separating the dynamic ordered and the disordered phase has been drawn, and the dynamical tricritical point has been observed. We also make the compare results of EFT with that given by using the mean field theory (MFT)
Linear kinetic theory and particle transport in stochastic mixtures
Pomraning, G.C.
1994-03-01
The primary goal in this research is to develop a comprehensive theory of linear transport/kinetic theory in a stochastic mixture of solids and immiscible fluids. The statistics considered correspond to N-state discrete random variables for the interaction coefficients and sources, with N denoting the number of components of the mixture. The mixing statistics studied are Markovian as well as more general statistics, such as renewal processes. A further goal of this work is to demonstrate the applicability of the formalism to real world engineering problems. This three year program was initiated June 15, 1993 and has been underway nine months. Many significant results have been obtained, both in the formalism development and in representative applications. These results are summarized by listing the archival publications resulting from this grant, including the abstracts taken directly from the papers
Asymptotic kinetic theory of magnetized plasmas: quasi-particle concept
Sosenko, P.P.; Zagorodny, A.H.
2004-01-01
The asymptotic kinetic theory of magnetized plasmas is elaborated within the context of general statistical approach and asymptotic methods, developed by M. Krylov and M. Bohol'ubov, for linear and non-linear dynamic systems with a rapidly rotating phase. The quasi-particles are introduced already on the microscopic level. Asymptotic expansions enable to close the description for slow processes, and to relate consistently particles and guiding centres to quasi-particles. The kinetic equation for quasi-particles is derived. It makes a basis for the reduced description of slow collective phenomena in the medium. The kinetic equation for quasi-particles takes into account self-consistent interaction fields, quasi-particle collisions and collective-fluctuation-induced relaxation of quasi-particle distribution function. The relationships between the distribution functions for particles, guiding centres and quasi-particles are derived taking into account fluctuations, which can be especially important in turbulent states. In this way macroscopic (statistical) particle properties can be obtained from those of quasi-particles in the general case of non-equilibrium. (authors)
Kinetic theory of rf current drive and helicity injection
Mett, R.R.
1992-01-01
Current drive and helicity injection by plasma waves are examined with the use of kinetic theory. The Vlasov equation yields a general current drive formula that contains resonant and nonresonant (ponderomotivelike) contributions. Standard quasilinear current drive is described by the former, while helicity current drive may be contained in the latter. Since direct analytical comparison of the sizes of the two terms is, in general, difficult, a new approach is taken. Solution of the drift-kinetic equation shows that the standard Landau damping/transit time magnetic pumping quasilinear diffusion coefficient is the only contribution to steady-state current drive to leading order in ε=ρ L /l, where ρ L is the Larmor radius and l is the inhomogeneity scale length. All nonresonant contributions, including the helicity, appear at higher order, after averages are taken over a flux surface, over azimuth, and over time. Consequently, at wave frequencies well below the electron cyclotron frequency, a wave helicity flux perpendicular to the magnetic field does not influence the parallel motion of electrons to leading order and therefore will not drive a significant current. Any current associated with a wave helicity flux is then either ion current (and thus inefficient) or electron current stemming from effects not included in the drift-kinetic treatment, such as cyclotron, collisional, or nonlinear (i.e., not quasilinear)
Semi-continuous and multigroup models in extended kinetic theory
Koller, W.
2000-01-01
The aim of this thesis is to study energy discretization of the Boltzmann equation in the framework of extended kinetic theory. In case that external fields can be neglected, the semi- continuous Boltzmann equation yields a sound basis for various generalizations. Semi-continuous kinetic equations describing a three component gas mixture interacting with monochromatic photons as well as a four component gas mixture undergoing chemical reactions are established and investigated. These equations reflect all major aspects (conservation laws, equilibria, H-theorem) of the full continuous kinetic description. For the treatment of the spatial dependence, an expansion of the distribution function in terms of Legendre polynomials is carried out. An implicit finite differencing scheme is combined with the operator splitting method. The obtained numerical schemes are applied to the space homogeneous study of binary chemical reactions and to spatially one-dimensional laser-induced acoustic waves. In the presence of external fields, the developed overlapping multigroup approach (with the spline-interpolation as its extension) is well suited for numerical studies. Furthermore, two formulations of consistent multigroup approaches to the non-linear Boltzmann equation are presented. (author)
Kinetic theory for electron dynamics near a positive ion
Wrighton, Jeffrey M; Dufty, James W
2008-01-01
A theoretical description of time correlation functions for electron properties in the presence of a positive ion of charge number Z is given. The simplest case of an electron gas distorted by a single ion is considered. A semi-classical representation with a regularized electron–ion potential is used to obtain a linear kinetic theory that is asymptotically exact at short times. This Markovian approximation includes all initial (equilibrium) electron–electron and electron–ion correlations through renormalized pair potentials. The kinetic theory is solved in terms of single-particle trajectories of the electron–ion potential and a dielectric function for the inhomogeneous electron gas. The results are illustrated by a calculation of the autocorrelation function for the electron field at the ion. The dependence on charge number Z is shown to be dominated by the bound states of the effective electron–ion potential. On this basis, a very simple practical representation of the trajectories is proposed and shown to be accurate over a wide range including strong electron–ion coupling. This simple representation is then used for a brief analysis of the dielectric function for the inhomogeneous electron gas
Kinetic phenomena in charged particle transport in gases, swarm parameters and cross section data
Petrovic, Z Lj; Suvakov, M; Nikitovic, Z; Dujko, S; Sasic, O; Jovanovic, J; Malovic, G; Stojanovic, V
2007-01-01
In this review we discuss the current status of the physics of charged particle swarms, mainly electrons. The whole field is analysed mainly through its relationship to plasma modelling and illustrated by some recent examples developed mainly by our group. The measurements of the swarm coefficients and the availability of the data are briefly discussed. More time is devoted to the development of complete electron-molecule cross section sets along with recent examples such as NO, CF 4 and HBr. We extend the discussion to the availability of ion and fast neutral data and how swarm experiments may serve to provide new data. As a point where new insight into the kinetics of charge particle transport is provided, the role of kinetic phenomena is discussed and recent examples are listed. We focus here on giving two examples on how non-conservative processes make dramatic effects in transport, the negative absolute mobility and the negative differential conductivity for positrons in argon. Finally we discuss the applicability of swarm data in plasma modelling and the relationship to other fields where swarm experiments and analysis make significant contributions. (topical review)
Kinetic studies of the retention of radioactive gases by activated carbon adsorbers
Friedrich, V.
1989-01-01
A bimolecular reaction model containing the physico-chemical parameters of the adsorption process has been developed to describe the kinetics of a continuously operating adsorption column. An analytical solution of the model was found for low inlet gas concentrations and a cascade-type numerical method was used for calculations at higher inlet concentrations. When calculating accumulation and break-through curves using the cascade method the results show a strong concentration dependence at higher inlet concentrations but with decreasing concentration the curves asymptotically tend to the curve calculated by the analytical solution which is not concentration-dependent. Adsorption and desorption rate constants (K F and K B ) and active site concentration (A o ) were determined by fitting theoretical curves on experimentally measured break-through curves. The values of K F , K B , and A o were 3x10 3 cm 3 mol -1 s -1 , 2.5x10 -4 s -1 and 2.3x10 -3 mol cm -3 , respectively, for the system composed of methyl-iodine vapor as adsorbate and granuled activated carbon as adsorbent. Adsorption isotherms measured under dynamic conditions and at various temperatures were of Langmuir-type. From the temperature-dependence of the kinetic parameters the activation energy was calculated by the help of the Arrhenius-equation and the process was found exotherm with an activation energy of 67 KJ mol -1 (16 kcal mol -1 )
Experimental benchmark of kinetic simulations of capacitively coupled plasmas in molecular gases
Donkó, Z.; Derzsi, A.; Korolov, I.; Hartmann, P.; Brandt, S.; Schulze, J.; Berger, B.; Koepke, M.; Bruneau, B.; Johnson, E.; Lafleur, T.; Booth, J.-P.; Gibson, A. R.; O'Connell, D.; Gans, T.
2018-01-01
We discuss the origin of uncertainties in the results of numerical simulations of low-temperature plasma sources, focusing on capacitively coupled plasmas. These sources can be operated in various gases/gas mixtures, over a wide domain of excitation frequency, voltage, and gas pressure. At low pressures, the non-equilibrium character of the charged particle transport prevails and particle-based simulations become the primary tools for their numerical description. The particle-in-cell method, complemented with Monte Carlo type description of collision processes, is a well-established approach for this purpose. Codes based on this technique have been developed by several authors/groups, and have been benchmarked with each other in some cases. Such benchmarking demonstrates the correctness of the codes, but the underlying physical model remains unvalidated. This is a key point, as this model should ideally account for all important plasma chemical reactions as well as for the plasma-surface interaction via including specific surface reaction coefficients (electron yields, sticking coefficients, etc). In order to test the models rigorously, comparison with experimental ‘benchmark data’ is necessary. Examples will be given regarding the studies of electron power absorption modes in O2, and CF4-Ar discharges, as well as on the effect of modifications of the parameters of certain elementary processes on the computed discharge characteristics in O2 capacitively coupled plasmas.
Articulated Multimedia Physics, Lesson 14, Gases, The Gas Laws, and Absolute Temperature.
New York Inst. of Tech., Old Westbury.
As the fourteenth lesson of the Articulated Multimedia Physics Course, instructional materials are presented in this study guide with relation to gases, gas laws, and absolute temperature. The topics are concerned with the kinetic theory of gases, thermometric scales, Charles' law, ideal gases, Boyle's law, absolute zero, and gas pressures. The…
Gerasimov, G.Ya.; Gerasimova, T.S.; Fadeev, S.A.
1996-01-01
A kinetic model of SO 2 oxidation in flue gases, irradiated with accelerated electron flux is proposed. The model comprises an optimized mechanism of gas phase radiation chemical oxidation of NO and SO 2 , kinetics circuit of SO 2 and NH 3 thermal interaction, kinetic models of volumetric condensation of water and sulfuric acid vapors and liquid-phase oxidation of SO 2 in aerosol drops, produced in the course of volumetric condensation. Calculation results are in a satisfactory agreement with experimental data. (author)
Hoyermann, Karlheinz; Mauß, Fabian; Olzmann, Matthias; Welz, Oliver; Zeuch, Thomas
2017-07-19
Partially oxidized intermediates play a central role in combustion and atmospheric chemistry. In this perspective, we focus on the chemical kinetics of alkoxy radicals, peroxy radicals, and Criegee intermediates, which are key species in both combustion and atmospheric environments. These reactive intermediates feature a broad spectrum of chemical diversity. Their reactivity is central to our understanding of how volatile organic compounds are degraded in the atmosphere and converted into secondary organic aerosol. Moreover, they sensitively determine ignition timing in internal combustion engines. The intention of this perspective article is to provide the reader with information about the general mechanisms of reactions initiated by addition of atomic and molecular oxygen to alkyl radicals and ozone to alkenes. We will focus on critical branching points in the subsequent reaction mechanisms and discuss them from a consistent point of view. As a first example of our integrated approach, we will show how experiment, theory, and kinetic modeling have been successfully combined in the first infrared detection of Criegee intermediates during the gas phase ozonolysis. As a second example, we will examine the ignition timing of n-heptane/air mixtures at low and intermediate temperatures. Here, we present a reduced, fuel size independent kinetic model of the complex chemistry initiated by peroxy radicals that has been successfully applied to simulate standard n-heptane combustion experiments.
Mean free path in soccer and gases
Luzuriaga, J, E-mail: luzuriag@cab.cnea.gov.a [Centro Atomico Bariloche - CNEA, Instituto Balseiro UNC (8400), Bariloche (Argentina)
2010-09-15
The trajectories of the molecules in an ideal gas and of the ball in a soccer game are compared. The great difference between these motions and some similarities are discussed. This example could be suitable for discussing many concepts in kinetic theory in a way that can be pictured by students for getting a more intuitive understanding. It could be suitable for an introductory course in vacuum techniques or undergraduate courses in kinetic theory of gases. Without going into the slightly harder quantitative results, the analysis presented might be used for introducing some ideas of kinetic theory qualitatively to high school students.
Mean free path in soccer and gases
Luzuriaga, J
2010-01-01
The trajectories of the molecules in an ideal gas and of the ball in a soccer game are compared. The great difference between these motions and some similarities are discussed. This example could be suitable for discussing many concepts in kinetic theory in a way that can be pictured by students for getting a more intuitive understanding. It could be suitable for an introductory course in vacuum techniques or undergraduate courses in kinetic theory of gases. Without going into the slightly harder quantitative results, the analysis presented might be used for introducing some ideas of kinetic theory qualitatively to high school students.
Conserving gapless mean-field theory for weakly interacting Bose gases
Kita, Takafumi
2006-01-01
This paper presents a conserving gapless mean-field theory for weakly interacting Bose gases. We first construct a mean-field Luttinger-Ward thermodynamic functional in terms of the condensate wave function Ψ and the Nambu Green's function G for the quasiparticle field. Imposing its stationarity respect to Ψ and G yields a set of equations to determine the equilibrium for general non-uniform systems. They have a plausible property of satisfying the Hugenholtz-Pines theorem to provide a gapless excitation spectrum. Also, the corresponding dynamical equations of motion obey various conservation laws. Thus, the present mean-field theory shares two important properties with the exact theory: 'conserving' and 'gapless'. The theory is then applied to a homogeneous weakly interacting Bose gas with s-wave scattering length a and particle mass m to clarify its basic thermodynamic properties under two complementary conditions of constant density n and constant pressure p. The superfluid transition is predicted to be first-order because of the non-analytic nature of the order-parameter expansion near T c inherent in Bose systems, i.e., the Landau-Ginzburg expansion is not possible here. The transition temperature T c shows quite a different interaction dependence between the n-fixed and p-fixed cases. In the former case T c increases from the ideal gas value T 0 as T c /T 0 =1+2.33an 1/3 , whereas it decreases in the latter as T c /T 0 =1-3.84a(mp/2πℎ 2 ) 1/5 . Temperature dependences of basic thermodynamic quantities are clarified explicitly. (author)
Kinetic study of the reaction of uranium with various carbon-containing gases
Feron, G.
1963-09-01
The kinetic study of the reaction U + CO 2 and U + CO has been performed by a thermogravimetric method on a spherical uranium powder, in temperature ranges respectively from 460 to 690 deg. C and from 570 to 850 deg. C. The reaction with carbon dioxide leads to uranium dioxide. A carbon deposition takes place at the same time. The global reactions is the result of two reactions: U + 2 CO 2 → UO 2 + 2 CO U + CO 2 → UO 2 + C The reaction with carbon monoxide leads to a mixture of dioxide UO 2 , dicarbide UC 2 and free carbon. The main reaction can be written. U + CO → 1/2 UO 2 + 1/2 UC 2 The free carbon results of the disproportionation of the carbon monoxide. A remarkable separation of the two phases UO 2 and UC 2 can be observed. A mechanism accounting for the phenomenon has been proposed. The two reactions U + CO 2 and U + CO begin with a long germination period, after which, the reaction velocity seems to be limited in both cases by the ionic diffusion of oxygen through the uranium dioxide. (author) [fr
Microbiological and kinetic aspects of a biofilter for the removal of toluene from waste gases
Acuna; Perez; Auria; Revah
1999-04-20
Microbiological and kinetic aspects of a biofilter inoculated with a consortium of five bacteria and two yeast adapted to remove toluene vapors were investigated. Initially the toluene sorption isotherm on peat and the effect of different environmental conditions on the toluene consumption rates of this consortium were measured. The fast start-up of the biofilter and the decay in the elimination capacity (EC) were reproduced using microcosm assays with toluene successive additions. Nutrient limitation and a large degree of heterogeneity were also detected. EC values, extrapolated from microcosms, were higher than biofilter EC when it was operating close to 100% efficiency but tended to relate better as the biofilter EC diminished. In studies on the microbial evolution in the biofilter, an increase in the cell count and variation in the ecology of the consortium were noted. Bacterial counts up to 10 x 10(11) cfu/gdry peat were found in 88 days, which corresponds to about a 10(4) increase from inoculum. Observations with SEM showed a nonuniform biofilm development on the support and the presence of an extracellular material. The results obtained in this work demonstrated that activity measurement in microcosms concomitant to the biofilter operation could be an important tool for understanding, predicting and improving the biofiltration performance. Copyright 1999 John Wiley & Sons, Inc.
Jeans' criterion and nonextensive velocity distribution function in kinetic theory
Du Jiulin
2004-01-01
The effect of nonextensivity of self-gravitating systems on the Jeans' criterion for gravitational instability is studied in the framework of Tsallis statistics. The nonextensivity is introduced in the Jeans problem by a generalized q-nonextensive velocity distribution function through the equation of state of ideal gas in nonextensive kinetic theory. A new Jeans' criterion is deduced with a factor √(2/(5-3q)) that, however, differs from that one in [Astron. Astrophys. 396 (2002) 309] and new results of gravitational instability are analyzed for the nonextensive parameter q. An understanding of physical meaning of q and a possible seismic observation to find astronomical evidence for a value of q different from unity are also discussed
Nonlinear responses of chiral fluids from kinetic theory
Hidaka, Yoshimasa; Pu, Shi; Yang, Di-Lun
2018-01-01
The second-order nonlinear responses of inviscid chiral fluids near local equilibrium are investigated by applying the chiral kinetic theory (CKT) incorporating side-jump effects. It is shown that the local equilibrium distribution function can be nontrivially introduced in a comoving frame with respect to the fluid velocity when the quantum corrections in collisions are involved. For the study of anomalous transport, contributions from both quantum corrections in anomalous hydrodynamic equations of motion and those from the CKT and Wigner functions are considered under the relaxation-time (RT) approximation, which result in anomalous charge Hall currents propagating along the cross product of the background electric field and the temperature (or chemical-potential) gradient and of the temperature and chemical-potential gradients. On the other hand, the nonlinear quantum correction on the charge density vanishes in the classical RT approximation, which in fact satisfies the matching condition given by the anomalous equation obtained from the CKT.
Kinetic theory of thermotransport of polar semiconductors: Degenerate limit
Rangel-Huerta, A. [Facultad de Ciencias de la Computacion Benemerita, Universidad Autonoma de Puebla, 14 Sur y San Claudio C.U., Puebla 72570 (Mexico); Rodriguez-Meza, M.A. [Instituto Nacional de Investigaciones Nucleares, Apdo. Postal 18-1027, Mexico D.F. 11801 (Mexico)
2005-08-01
We develop a kinetic theory approach from the semiclassical Boltzmann transport equation for the thermotransport of electrons in degenerate polar semiconductors. The method of moments applied to the Boltzmann equation gives us a set of hydrodynamical equations which are closed up to thirteen relevant variables, including energy density, the stress tensor and the heat flux in the description. The closure of the balance equations is achieved by evaluating the higher order momenta, as well as the production terms, through a non equilibrium distribution function coming from the maximum entropy principle. We assume that electronoptical polar phonon interaction is the leading scattering process in order to obtain analytical expressions for both, the characteristic relaxation times and the usual thermoelectric coefficients. We also show that in this case the Onsager symmetry relationship is not satisfied. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Transient response of nonlinear polymer networks: A kinetic theory
Vernerey, Franck J.
2018-06-01
Dynamic networks are found in a majority of natural materials, but also in engineering materials, such as entangled polymers and physically cross-linked gels. Owing to their transient bond dynamics, these networks display a rich class of behaviors, from elasticity, rheology, self-healing, or growth. Although classical theories in rheology and mechanics have enabled us to characterize these materials, there is still a gap in our understanding on how individuals (i.e., the mechanics of each building blocks and its connection with others) affect the emerging response of the network. In this work, we introduce an alternative way to think about these networks from a statistical point of view. More specifically, a network is seen as a collection of individual polymer chains connected by weak bonds that can associate and dissociate over time. From the knowledge of these individual chains (elasticity, transient attachment, and detachment events), we construct a statistical description of the population and derive an evolution equation of their distribution based on applied deformation and their local interactions. We specifically concentrate on nonlinear elastic response that follows from the strain stiffening response of individual chains of finite size. Upon appropriate averaging operations and using a mean field approximation, we show that the distribution can be replaced by a so-called chain distribution tensor that is used to determine important macroscopic measures such as stress, energy storage and dissipation in the network. Prediction of the kinetic theory are then explored against known experimental measurement of polymer responses under uniaxial loading. It is found that even under the simplest assumptions of force-independent chain kinetics, the model is able to reproduce complex time-dependent behaviors of rubber and self-healing supramolecular polymers.
Stochastic cooling of bunched beams from fluctuation and kinetic theory
Chattopadhyay, S.
1982-09-01
A theoretical formalism for stochastic phase-space cooling of bunched beams in storage rings is developed on the dual basis of classical fluctuation theory and kinetic theory of many-body systems in phase-space. The physics is that of a collection of three-dimensional oscillators coupled via retarded nonconservative interactions determined by an electronic feedback loop. At the heart of the formulation is the existence of several disparate time-scales characterizing the cooling process. Both theoretical approaches describe the cooling process in the form of a Fokker-Planck transport equation in phase-space valid up to second order in the strength and first order in the auto-correlation of the cooling signal. With neglect of the collective correlations induced by the feedback loop, identical expressions are obtained in both cases for the coherent damping and Schottky noise diffusion coefficients. These are expressed in terms of Fourier coefficients in a harmonic decomposition in angle of the generalized nonconservative cooling force written in canonical action-angle variables of the particles in six-dimensional phase-space. Comparison of analytic results to a numerical simulation study with 90 pseudo-particles in a model cooling system is presented
Almeida, P. G. C.; Benilov, M. S. [Departamento de Física, CCCEE, Universidade da Madeira, Largo do Município, 9000 Funchal (Portugal)
2013-10-15
The work is aimed at advancing the multiple steady-state solutions that have been found recently in the theory of direct current (DC) glow discharges. It is shown that an account of detailed plasma chemistry and non-locality of electron transport and kinetic coefficients results in an increase of the number of multiple solutions but does not change their pattern. Multiple solutions are shown to exist for discharges in argon and helium provided that discharge pressure is high enough. This result indicates that self-organization in DC glow microdischarges can be observed not only in xenon, which has been the case until recently, but also in other plasma-producing gases; a conclusion that has been confirmed by recent experiments. Existence of secondary bifurcations can explain why patterns of spots grouped in concentric rings, observed in the experiment, possess in many cases higher number of spots in outer rings than in inner ones.
BOOK REVIEW: Kinetic theory of plasma waves, homogeneous plasmas
Porkolab, Miklos
1998-11-01
The linear theory of plasma waves in homogeneous plasma is arguably the most mature and best understood branch of plasma physics. Given the recently revised version of Stix's excellent Waves in Plasmas (1992), one might ask whether another book on this subject is necessary only a few years later. The answer lies in the scope of this volume; it is somewhat more detailed in certain topics than, and complementary in many fusion research relevant areas to, Stix's book. (I am restricting these comments to the homogeneous plasma theory only, since the author promises a second volume on wave propagation in inhomogeneous plasmas.) This book is also much more of a theorist's approach to waves in plasmas, with the aim of developing the subject within the logical framework of kinetic theory. This may indeed be pleasing to the expert and to the specialist, but may be too difficult to the graduate student as an `introduction' to the subject (which the author explicitly states in the Preface). On the other hand, it may be entirely appropriate for a second course on plasma waves, after the student has mastered fluid theory and an introductory kinetic treatment of waves in a hot magnetized `Vlasov' plasma. For teaching purposes, my personal preference is to review the cold plasma wave treatment using the unified Stix formalism and notation (which the author wisely adopts in the present book, but only in Chapter 5). Such an approach allows one to deal with CMA diagrams early on, as well as to provide a framework to discuss electromagnetic wave propagation and accessibility in inhomogeneous plasmas (for which the cold plasma wave treatment is perfectly adequate). Such an approach does lack some of the rigour, however, that the author achieves with the present approach. As the author correctly shows, the fluid theory treatment of waves follows logically from kinetic theory in the cold plasma limit. I only question the pedagogical value of this approach. Otherwise, I welcome this
The energy-momentum tensor for the linearized Maxwell-Vlasov and kinetic guiding center theories
Pfirsch, D.; Morrison, P.J.; Texas Univ., Austin
1990-02-01
A modified Hamilton-Jacobi formalism is introduced as a tool to obtain the energy-momentum and angular-momentum tensors for any kind of nonlinear or linearized Maxwell-collisionless kinetic theories. The emphasis is on linearized theories, for which these tensors are derived for the first time. The kinetic theories treated - which need not be the same for all particle species in a plasma - are the Vlasov and kinetic guiding center theories. The Hamiltonian for the guiding center motion is taken in the form resulting from Dirac's constraint theory for non-standard Lagrangian systems. As an example of the Maxwell-kinetic guiding center theory, the second-order energy for a perturbed homogeneous magnetized plasma is calculated with initially vanishing field perturbations. The expression obtained is compared with the corresponding one of Maxwell-Vlasov theory. (orig.)
The energy-momentum tensor for the linearized Maxwell-Vlasov and kinetic guiding center theories
Pfirsch, D.; Morrison, P.J.
1990-02-01
A modified Hamilton-Jacobi formalism is introduced as a tool to obtain the energy-momentum and angular-momentum tensors for any king of nonlinear or linearized Maxwell-collisionless kinetic theories. The emphasis is on linearized theories, for which these tensors are derived for the first time. The kinetic theories treated --- which need not be the same for all particle species in a plasma --- are the Vlasov and kinetic guiding center theories. The Hamiltonian for the guiding center motion is taken in the form resulting from Dirac's constraint theory for non-standard Lagrangian systems. As an example of the Maxwell-kinetic guiding center theory, the second-order energy for a perturbed homogeneous magnetized plasma is calculated with initially vanishing field perturbations. The expression obtained is compared with the corresponding one of Maxwell-Vlasov theory. 11 refs
Mechanics of liquids and gases
Loitsyanskii, L G; Jones, W P
1966-01-01
Mechanics of Liquids and Gases, Second Edition is a 10-chapter text that covers significant revisions concerning the dynamics of an ideal gas, a viscous liquid and a viscous gas.After an expanded introduction to the fundamental properties and methods of the mechanics of fluids, this edition goes on dealing with the kinetics and general questions of dynamics. The next chapters describe the one-dimensional pipe flow of a gas with friction, the elementary theory of the shock tube; Riemann's theory of the wave propagation of finite intensity, and the theory of plane subsonic and supersonic flows.
White, R D; Robson, R E; Schmidt, B; Morrison, Michael A
2003-01-01
The 'two-term' approximation (representation of the electron distribution by the first two terms of an expansion in spherical harmonics in velocity space) continues to occupy a central role in the low-temperature plasma physics literature, in spite of the mass of evidence illustrating its inadequacy in the swarm (free diffusion) limit for many molecular gases. Part of the problem lies in the failure of many authors to specify quantitatively what they mean when they say that the two-term approximation is 'acceptable'. Thus for example, an error of 10% in transport coefficients may well be acceptable in many plasma applications, but for analysis of highly accurate swarm experiments to compare with ab initio and beam-derived cross-sections, 0.1% or less is required, making 'multi-term' analysis mandatory. While reconciliation of the swarm and plasma literature along the lines of two different accuracy regimes may thus be possible, we dispute claims that the two-term approximation is generally satisfactory for inversion of swarm experiment data to obtain electron impact cross-sections. The unsatisfactory nature of other assumptions implicit in much of the modern plasma kinetic theory literature is also discussed
Takashi Arima
2018-04-01
Full Text Available After summarizing the present status of Rational Extended Thermodynamics (RET of gases, which is an endeavor to generalize the Navier–Stokes and Fourier (NSF theory of viscous heat-conducting fluids, we develop the molecular RET theory of rarefied polyatomic gases with 15 independent fields. The theory is justified, at mesoscopic level, by a generalized Boltzmann equation in which the distribution function depends on two internal variables that take into account the energy exchange among the different molecular modes of a gas, that is, translational, rotational, and vibrational modes. By adopting the generalized Bhatnagar, Gross and Krook (BGK-type collision term, we derive explicitly the closed system of field equations with the use of the Maximum Entropy Principle (MEP. The NSF theory is derived from the RET theory as a limiting case of small relaxation times via the Maxwellian iteration. The relaxation times introduced in the theory are shown to be related to the shear and bulk viscosities and heat conductivity.
Recondensation phenomena of a hot two-phase fluid in the presence of non condensable gases
Berthoud, G.
1983-09-01
The condensation rates obtained during the expansion of a large hot bubble containing non condensable gases in its cold liquid is studied. The failure of theories derived from the Nusselt model for liquid metals led to use the kinetic theory of condensation. The additionnal resistance due to the presence of non condensable gases is expressed by the vapor diffusion through the layer of gases which accumulates at the interface. This model is then used to interprete experiments [fr
Kinetic Theory and Fast Wind Observations of the Electron Strahl
Horaites, Konstantinos; Boldyrev, Stanislav; Wilson, Lynn B., III; Viñas, Adolfo F.; Merka, Jan
2018-02-01
We develop a model for the strahl population in the solar wind - a narrow, low-density and high-energy electron beam centred on the magnetic field direction. Our model is based on the solution of the electron drift-kinetic equation at heliospheric distances where the plasma density, temperature and the magnetic field strength decline as power laws of the distance along a magnetic flux tube. Our solution for the strahl depends on a number of parameters that, in the absence of the analytic solution for the full electron velocity distribution function (eVDF), cannot be derived from the theory. We however demonstrate that these parameters can be efficiently found from matching our solution with observations of the eVDF made by the Wind satellite's SWE strahl detector. The model is successful at predicting the angular width (FWHM) of the strahl for the Wind data at 1 au, in particular by predicting how this width scales with particle energy and background density. We find that the strahl distribution is largely determined by the local temperature Knudsen number γ ∼ |T dT/dx|/n, which parametrizes solar wind collisionality. We compute averaged strahl distributions for typical Knudsen numbers observed in the solar wind, and fit our model to these data. The model can be matched quite closely to the eVDFs at 1 au; however, it then overestimates the strahl amplitude at larger heliocentric distances. This indicates that our model may be improved through the inclusion of additional physics, possibly through the introduction of 'anomalous diffusion' of the strahl electrons.
Empiricism or self-consistent theory in chemical kinetics?
Gutman, E.M.
2007-01-01
To give theoretical background for mechanochemical kinetics, we need first of all to find a possibility to predict the kinetic parameters for real chemical processes by determining rate constants and reaction orders without developing strictly specialized and, to a great extent, artificial models, i.e. to derive the kinetic law of mass action from 'first principles'. However, the kinetic law of mass action has had only an empirical basis from the first experiments of Gulberg and Waage until now, in contrast to the classical law of mass action for chemical equilibrium rigorously derived in chemical thermodynamics from equilibrium condition. Nevertheless, in this paper, an attempt to derive the kinetic law of mass action from 'first principles' is made in macroscopic formulation. It has turned out to be possible owing to the methods of thermodynamics of irreversible processes that were unknown in Gulberg and Waage's time
Muehlen, H.J.
1983-01-01
The reaction kinetics of coal gasification by using the process heat is investigated. Pressure, temperature and composition of the gasifying agent are varied. Starting from other models, a kinetic model is derived and tested for its applicability. (PW) [de
Chien, C.-C.; Guo Hao; He Yan; Levin, K.
2010-01-01
This article presents a comparison of two finite-temperature BCS-Bose-Einstein condensation (BEC) crossover theories above the transition temperature: Nozieres-Schmitt-Rink (NSR) theory and finite-T extended BCS-Leggett theory. The comparison is cast in the form of numerical studies of the behavior of the fermionic spectral function both theoretically and as constrained by (primarily) radio frequency (rf) experiments. Both theories include pair fluctuations and exhibit pseudogap effects, although the nature of this pseudogap is very different. The pseudogap in finite-T extended BCS-Leggett theory is found to follow a BCS-like dispersion which, in turn, is associated with a broadened BCS-like self-energy, rather more similar to what is observed in high-temperature superconductors (albeit, for a d-wave case). The fermionic quasiparticle dispersion is different in NSR theory and the damping is considerably larger. We argue that the two theories are appropriate in different temperature regimes with the BCS-Leggett approach being more suitable nearer to condensation. There should, in effect, be little difference at higher T as the pseudogap becomes weaker and where the simplifying approximations used in the BCS-Leggett approach break down. On the basis of momentum-integrated rf studies of unpolarized gases, it would be difficult to distinguish which theory is the better one. A full comparison for polarized gases is not possible since it is claimed that there are inconsistencies in the NSR approach (not found in the BCS-Leggett scheme). Future experiments along the lines of momentum-resolved experiments look to be very promising in distinguishing the two theories.
Beyond the Cahn-Hilliard equation: a vacancy-based kinetic theory
Nastar, M.
2011-01-01
A Self-Consistent Mean Field (SCMF) kinetic theory including an explicit description of the vacancy diffusion mechanism is developed. The present theory goes beyond the usual local equilibrium hypothesis. It is applied to the study of the early time spinodal decomposition in alloys. The resulting analytical expression of the structure function highlights the contribution of the vacancy diffusion mechanism. Instead of the single amplification rate of the Cahn-Hillard linear theory, the linearized SCMF kinetic equations involve three constant rates, first one describing the vacancy relaxation kinetics, second one related to the kinetic coupling between local concentrations and pair correlations and the third one representing the spinodal amplification rate. Starting from the same vacancy diffusion model, we perform kinetic Monte Carlo simulations of a Body Centered Cubic (BCC) demixting alloy. The resulting spherically averaged structure function is compared to the SCMF predictions. Both qualitative and quantitative agreements are satisfying. (authors)
A Simulational approach to teaching statistical mechanics and kinetic theory
Karabulut, H.
2005-01-01
A computer simulation demonstrating how Maxwell-Boltzmann distribution is reached in gases from a nonequilibrium distribution is presented. The algorithm can be generalized to the cases of gas particles (atoms or molecules) with internal degrees of freedom such as electronic excitations and vibrational-rotational energy levels. Another generalization of the algorithm is the case of mixture of two different gases. By choosing the collision cross sections properly one can create quasi equilibrium distributions. For example by choosing same atom cross sections large and different atom cross sections very small one can create mixture of two gases with different temperatures where two gases slowly interact and come to equilibrium in a long time. Similarly, for the case one kind of atom with internal degrees of freedom one can create situations that internal degrees of freedom come to the equilibrium much later than translational degrees of freedom. In all these cases the equilibrium distribution that the algorithm gives is the same as expected from the statistical mechanics. The algorithm can also be extended to cover the case of chemical equilibrium where species A and B react to form AB molecules. The laws of chemical equilibrium can be observed from this simulation. The chemical equilibrium simulation can also help to teach the elusive concept of chemical potential
Gallis, Michael A; Bond, Ryan B; Torczynski, John R
2009-09-28
Recently proposed molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties (i.e., no macroscopic reaction-rate information) are investigated for chemical reactions occurring in upper-atmosphere hypersonic flows. The new models are in good agreement with the measured Arrhenius rates for near-equilibrium conditions and with both measured rates and other theoretical models for far-from-equilibrium conditions. Additionally, the new models are applied to representative combustion and ionization reactions and are in good agreement with available measurements and theoretical models. Thus, molecular-level chemistry modeling provides an accurate method for predicting equilibrium and nonequilibrium chemical-reaction rates in gases.
Kinetic approach to the initial value problem in quantum field theory
Lin Chi Yong; Toledo Piza, A.F.R. de.
1989-06-01
Time-dependente projection techniques developed to derive kinetic equations in the context of the quantum many-body problem are applied to φ 4 field theory. The approach is illustrated by working out the 0+1 dimensional case explicitly, including numerical solutions of the kinetic equations. Extension to higher dimensions is briefly discussed. (author) [pt
Radiative Transfer Reconsidered as a Quantum Kinetic Theory
Radiative transfer—quantum kinetic theory—anomalous dispersion. 1. ... able for the elaboration of transport codes (e.g. based on the Monte-Carlo technique ... this function is not a true probability density function but rather a quasiprobability.
Gases and vacua handbook of vacuum physics
Beck, A H
2013-01-01
Handbook of Vacuum Physics, Volume 1: Gases and Vacua presents three major topics, which are the fourth to sixth parts of this volume. These topics are the remarks on units of physical quantities; kinetic theory of gases and gaseous flow; and theory of vacuum diffusion pumps. The first topic aims to present concisely the significance of units of physical quantities, catering the need and interest of those who take measurements and make calculations in different fields of vacuum sciences. The technique and applications of this particular topic are also provided. The second main topic focuses sp
Kinetic theory of collective exitations and damping in Bose-Einstein condensed gases
Al Khawaja, U.; Stoof, H.T.C.
2000-01-01
We calculate the frequencies and damping rates of the low-lying collective modes of a Bose-Einstein condensed gas at nonzero temperature. We use a complex nonlinear Schrödinger equation to determine the dynamics of the condensate atoms. In this manner we take into account both collisions between
Kinetic theory of collective excitations and damping in Bose-Einstein condensed gases
Al Khawaja, U.; Stoof, H.T.C.
2000-01-01
We calculate the frequencies and damping rates of the low-lying collective modes of a Bose-Einstein condensed gas at nonzero temperature. We use a complex nonlinear Schrödinger equation to determine the dynamics of the condensate atoms, and couple it to a Boltzmann equation for the noncondensate
Theory of semicollisional kinetic Alfven modes in sheared magnetic fields
Hahm, T.S.; Chen, L.
1985-02-01
The spectra of the semicollisional kinetic Alfven modes in a sheared slab geometry are investigated, including the effects of finite ion Larmor radius and diamagnetic drift frequencies. The eigenfrequencies of the damped modes are derived analytically via asymptotic analyses. In particular, as one reduces the resistivity, we find that, due to finite ion Larmor radius effects, the damped mode frequencies asymptotically approach finite real values corresponding to the end points of the kinetic Alfven continuum
Chiral anomaly, Berry phase, and chiral kinetic theory from worldlines in quantum field theory
Mueller, Niklas; Venugopalan, Raju
2018-03-01
In previous work, we outlined a worldline framework that can be used for systematic computations of the chiral magnetic effect (CME) in ultrarelativistic heavy-ion collisions. Towards this end, we first expressed the real part of the fermion determinant in the QCD effective action as a supersymmetric worldline action of spinning, colored, Grassmanian point particles in background gauge fields, with equations of motion that are covariant generalizations of the Bargmann-Michel-Telegdi and Wong equations. The chiral anomaly, in contrast, arises from the phase of the fermion determinant. Remarkably, the latter too can be expressed as a point particle worldline path integral, which can be employed to derive the anomalous axial vector current. We will show here how Berry's phase can be obtained in a consistent nonrelativistic adiabatic limit of the real part of the fermion determinant. Our work provides a general first principles demonstration that the topology of Berry's phase is distinct from that of the chiral anomaly confirming prior arguments by Fujikawa in specific contexts. This suggests that chiral kinetic treatments of the CME in heavy-ion collisions that include Berry's phase alone are incomplete. We outline the elements of a worldline covariant relativistic chiral kinetic theory that captures the physics of how the chiral current is modified by many-body scattering and topological fluctuations.
Quantum kinetics of a superconducting tunnel junction: Theory and comparison with experiment
Chow, K.S.; Browne, D.A.; Ambegaokar, V.
1988-01-01
We develop a kinetic theory for the real-time response of a quantum particle interacting with a macroscopic reservoir. We discuss the equilibrium and long-time behavior of the solution of the kinetic equation for such a system. In the limit of low damping, the kinetic equation reduces to a master equation. Using the theory to model a Josephson junction loaded with an external impedance, we make contact with the experiments of Clark, Devoret, Esteve, and Martinis. We argue that a stationary solution of the master equation sufficiently describes the experiments, and make detailed comparison with data
Perturbative method for the derivation of quantum kinetic theory based on closed-time-path formalism
Koide, Jun
2002-01-01
Within the closed-time-path formalism, a perturbative method is presented, which reduces the microscopic field theory to the quantum kinetic theory. In order to make this reduction, the expectation value of a physical quantity must be calculated under the condition that the Wigner distribution function is fixed, because it is the independent dynamical variable in the quantum kinetic theory. It is shown that when a nonequilibrium Green function in the form of the generalized Kadanoff-Baym ansatz is utilized, this condition appears as a cancellation of a certain part of contributions in the diagrammatic expression of the expectation value. Together with the quantum kinetic equation, which can be derived in the closed-time-path formalism, this method provides a basis for the kinetic-theoretical description
A group-kinetic theory of turbulent collective collisions
Tchen, C.M.; Misguich, J.H.
1983-05-01
The main objective is the derivation of the kinetic equation of turbulence which has a memory in the turbulent collision integral. We consider the basic pair-interaction, and the interaction between a fluctuation and the organized cluster of other fluctuations in the collection systems, called the multiple interaction. By a group-scaling procedure, a fluctuation is decomposed into three groups to represent the three coupled transport processes of evolution, transport coefficient, and relaxation. The kinetic equation of the scaled singlet distribution is capable of investigating the spectrum of turbulence without the need of the knowledge of the pair distribution. The exact propagator describes the detailed trajectory in the phase space, and is fundamental to the Lagrangian-Eulerian transformation. We calculate the propagator and its scaled groups by means of a probability of retrograde transition. Thus our derivation of the kinetic equation of the distribution involves a parallel development of the kinetic equations of the propagator and the transition probability. In this way, we can avoid the assumptions of independence and normality. Our result shows that the multiple interaction contributes to a shielding and an enchancement of the collision in weak turbulence and strong turbulence, respectively. The weak turbulence is dominated by the wave resonance, and the strong turbulence is dominated by the diffusion
AND PI (π) FROM THE KINETIC MOLECULAR THEORY OF MATTER
DJFLEX
This paper considers the possible physical origins of the important natural constants epsilon (e = 2.7182 ) and pi (π = 3.1415 ). They are suggested to originate from the kinetic molecular nature of matter. Epsilon (e) is suggested to be the ratio of the driving force on a randomly moving particle accelerated with a quantum of ...
Non-equilibrium reacting gas flows kinetic theory of transport and relaxation processes
Nagnibeda, Ekaterina; Nagnibeda, Ekaterina
2009-01-01
This volume develops the kinetic theory of transport phenomena and relaxation processes in the flows of reacting gas mixtures. The theory is applied to the modeling of non-equilibrium flows behind strong shock waves, in the boundary layer, and in nozzles.
Einstein-Ehrenfest's radiation theory and Compton-Debye's kinetics
Barranco, A.V.; Franca, H.M.
1990-01-01
Einstein and Ehrenfest's radiation theory is modified in order to introduce the efeects of random zero-point fields, characteristics of classical stochastic electrodynamics. As a result, the Compton and Debye's kinematic relations are obtained within the realm of a completely undulatory theory, that is, without having to consider the corpuscular character of the photon. (A.C.A.S.) [pt
Work fluctuation theorems and free energy from kinetic theory
Brey, J. Javier; Ruiz-Montero, M. J.; Domínguez, Álvaro
2018-01-01
The formulation of the first and second principles of thermodynamics for a particle in contact with a heat bath and submitted to an external force is analyzed, by means of the Boltzmann-Lorentz kinetic equation. The possible definitions of the thermodynamic quantities are discussed in the light of the H theorem verified by the distribution of the particle. The work fluctuation relations formulated by Bochkov and Kuzovlev, and by Jarzynski, respectively, are derived from the kinetic equation. In addition, particle simulations using both the direct simulation Monte Carlo method and molecular dynamics, are used to investigate the practical accuracy of the results. Work distributions are also measured, and they turn out to be rather complex. On the other hand, they seem to depend very little, if any, on the interaction potential between the intruder and the bath.
Kinetic and fluid theory of microwave breakdown in air
Roussel-Dupre, R.A.; Murphy, T.; Johnson, A.
1987-01-01
We have developed time-dependent fluid and kinetic treatments of electron transport in air in the presence of a propagating microwave pulse. In both cases the HPM pulses are assumed to be of short enough duration so that electron spatial diffusion can be neglected. In addition, we limit our calculations to the non-relativistic regime where effects due to the ponderomotive force are negligible. 6 refs., 4 figs
Collective learning modeling based on the kinetic theory of active particles
Burini, D.; De Lillo, S.; Gibelli, L.
2016-03-01
This paper proposes a systems approach to the theory of perception and learning in populations composed of many living entities. Starting from a phenomenological description of these processes, a mathematical structure is derived which is deemed to incorporate their complexity features. The modeling is based on a generalization of kinetic theory methods where interactions are described by theoretical tools of game theory. As an application, the proposed approach is used to model the learning processes that take place in a classroom.
Interacting systems far from equilibrium quantum kinetic theory
Morawetz, Klaus
2018-01-01
This book presents an up-to-date formalism of non-equilibrium Green's functions covering different applications ranging from solid state physics, plasma physics, cold atoms in optical lattices up to relativistic transport and heavy ion collisions. Within the Green's function formalism, the basic sets of equations for these diverse systems are similar, and approximations developed in one field can be adapted to another field. The central object is the self-energy which includes all non-trivial aspects of the system dynamics. The focus is therefore on microscopic processes starting from elementary principles for classical gases and the complementary picture of a single quantum particle in a random potential. This provides an intuitive picture of the interaction of a particle with the medium formed by other particles, on which the Green's function is built on.
Modeling of hydrogen Stark line shapes with kinetic theory methods
Rosato, J.; Capes, H.; Stamm, R.
2012-12-01
The unified formalism for Stark line shapes is revisited and extended to non-binary interactions between an emitter and the surrounding perturbers. The accuracy of this theory is examined through comparisons with ab initio numerical simulations.
Yang, Mino
2007-06-07
Theoretical foundation of rate kernel equation approaches for diffusion-influenced chemical reactions is presented and applied to explain the kinetics of fluorescence quenching reactions. A many-body master equation is constructed by introducing stochastic terms, which characterize the rates of chemical reactions, into the many-body Smoluchowski equation. A Langevin-type of memory equation for the density fields of reactants evolving under the influence of time-independent perturbation is derived. This equation should be useful in predicting the time evolution of reactant concentrations approaching the steady state attained by the perturbation as well as the steady-state concentrations. The dynamics of fluctuation occurring in equilibrium state can be predicted by the memory equation by turning the perturbation off and consequently may be useful in obtaining the linear response to a time-dependent perturbation. It is found that unimolecular decay processes including the time-independent perturbation can be incorporated into bimolecular reaction kinetics as a Laplace transform variable. As a result, a theory for bimolecular reactions along with the unimolecular process turned off is sufficient to predict overall reaction kinetics including the effects of unimolecular reactions and perturbation. As the present formulation is applied to steady-state kinetics of fluorescence quenching reactions, the exact relation between fluorophore concentrations and the intensity of excitation light is derived.
Group-kinetic theory and modeling of atmospheric turbulence
Tchen, C. M.
1989-01-01
A group kinetic method is developed for analyzing eddy transport properties and relaxation to equilibrium. The purpose is to derive the spectral structure of turbulence in incompressible and compressible media. Of particular interest are: direct and inverse cascade, boundary layer turbulence, Rossby wave turbulence, two phase turbulence; compressible turbulence, and soliton turbulence. Soliton turbulence can be found in large scale turbulence, turbulence connected with surface gravity waves and nonlinear propagation of acoustical and optical waves. By letting the pressure gradient represent the elementary interaction among fluid elements and by raising the Navier-Stokes equation to higher dimensionality, the master equation was obtained for the description of the microdynamical state of turbulence.
Laser driven electron-positron pair creation-kinetic theory versus analytical approximations
Smolyansky, S.A.; Prozorkevich, A.V.; Bonitz, M.
2013-01-01
The dynamical Schwinger effect of vacuum pair creation driven by an intense external laser pulse is studied on the basis of quantum kinetic theory. The numerical solutions of these kinetic equations exhibit a complex time dependence which makes an analysis of the physical processes difficult. In particular, the question of secondary effects, such as creation of secondary annihilation photons from the focus spot of the colliding laser beams, remains an important open problem. In the present work we, therefore, develop a perturbation theory which is able to capture the dominant time dependence of the produced electron-positron pair density. The theory shows excellent agreement with the exact kinetic results during the laser pulse, but fails to reproduce the residual pair density remaining in the system after termination of the pulse. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Kinetic theory of plasma adiabatic major radius compression in tokamaks
Gorelenkova, M.V.; Gorelenkov, N.N.; Azizov, E.A.; Romannikov, A.N.; Herrmann, H.W.
1998-01-01
In order to understand the individual charged particle behavior as well as plasma macroparameters (temperature, density, etc.) during the adiabatic major radius compression (R-compression) in a tokamak, a kinetic approach is used. The perpendicular electric field from the Ohm close-quote s law at zero resistivity is made use of in order to describe particle motion during the R-compression. Expressions for both passing and trapped particle energy and pitch angle change are derived for a plasma with high aspect ratio and circular magnetic surfaces. The particle behavior near the passing trapped boundary during the compression is studied to simulate the compression-induced collisional losses of alpha particles. Qualitative agreement is obtained with the alphas loss measurements in deuterium-tritium (D-T) experiments in the Tokamak Fusion Test Reactor (TFTR) [World Survey of Activities in Controlled Fusion Research [Nucl. Fusion special supplement (1991)] (International Atomic Energy Agency, Vienna, 1991)]. The plasma macroparameters evolution at the R-compression is calculated by solving the gyroaveraged drift kinetic equation. copyright 1998 American Institute of Physics
Kinetic and transport theory near the tokamak edge
Hazeltine, R.D.; Catto, P.J.
1995-12-01
Conventional transport orderings employed in the core of a tokamak plasma allow large divergence-free flows in flux surfaces, but only weak radial flows. However, alternate orderings are required in the edge region where radial diffusion must balance the rapid loss due to free-streaming to divertor plates or limiters. Kinetic equations commonly used to study the plasma core do not allow such a balance and are, therefore, inapplicable in the plasma edge. Similarly, core transport formulae cannot be extended to the edge region without major, qualitative alteration. Here the authors address the necessary changes. By deriving and solving a novel kinetic equation, they construct distinctive collisional transport laws for the plasma edge. They find that their edge ordering naturally retains the radial diffusion and parallel flow of particles, momentum and heat to lowest order in the conservation equations. To higher order they find a surprising form for parallel transport in the scrape-off layer, in which the parallel flow of particles and heat are driven by a combination of the conventional gradients, viscosity, and new terms involving radial derivatives. The new terms are not relatively small, and could affect understanding of limiter and divertor operation
Nieto, J.
2016-03-01
The learning phenomena, their complexity, concepts, structure, suitable theories and models, have been extensively treated in the mathematical literature in the last century, and [4] contains a very good introduction to the literature describing the many approaches and lines of research developed about them. Two main schools have to be pointed out [5] in order to understand the two -not exclusive- kinds of existing models: the stimulus sampling models and the stochastic learning models. Also [6] should be mentioned as a survey where two methods of learning are pointed out, the cognitive and the social, and where the knowledge looks like a mathematical unknown. Finally, as the authors do, we refer to the works [9,10], where the concept of population thinking was introduced and which motivate the game theory rules as a tool (both included in [4] to develop their theory) and [7], where the ideas of developing a mathematical kinetic theory of perception and learning were proposed.
KINETIC THEORY OF PLASMA WAVES: Part II: Homogeneous Plasma
Westerhof, E.
2010-01-01
The theory of electromagnetic waves in a homogeneous plasma is reviewed. The linear response of the plasma to the waves is obtained in the form of the dielectric tensor. Waves ranging from the low frequency Alfven to the high frequency electron cyclotron waves are discussed in the limit of the cold
Kinetic theory of plasma waves: Part II homogeneous plasma
Westerhof, E.
2000-01-01
The theory of electromagnetic waves in a homogeneous plasma is reviewed. The linear response of the plasma to the waves is obtained in the form of the dielectric tensor. Waves ranging from the low frequency Alfven to the high frequency electron cyclotron waves are discussed in the limit of the cold
Kinetic theory of plasma waves - Part II: Homogeneous plasma
Westerhof, E.
2008-01-01
The theory of electromagnetic waves in a homogeneous plasma is reviewed. The linear response of the plasma to the waves is obtained in the form of the dielectric tensor. Waves ranging from the low frequency Alfven to the high frequency electron cyclotron waves axe discussed in the limit of the cold
Kinetic theory of oxygen isotopic exchange between minerals and water
Criss, R.E.; Gregory, R.T.; Taylor, H.P.
1987-01-01
Kinetic and mass conservation equations are used to describe oxygen isotopic exchange between minerals and water in "closed" and open hydrothermal systems. In cases where n coexisting mineral phases having different reaction rates are present, the exchange process is described by a system of n + 1 simultaneous differential equations consisting of n pseudo first-order rate equations and a conservation of mass equation. The simultaneous solutions to these equations generate curved exchange trajectories on ??-?? plots. Families of such trajectories generated under conditions allowing for different fluid mole fractions, different fluid isotopic compositions, or different fluid flow rates are connected by positive-sloped isochronous lines. These isochrons reproduce the effects observed in hydrothermally exchanged mineral pairs including 1) steep positive slopes, 2) common reversals in the measured fractionation factors (??), and 3) measured fractionations that are highly variable over short distances where no thermal gradient can be geologically demonstrated. ?? 1987.
Kinetic Theory and Simulation of Single-Channel Water Transport
Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus
Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.
Pilati, Sebastiano; Zintchenko, Ilia; Troyer, Matthias; Ancilotto, Francesco
2018-04-01
We benchmark the ground state energies and the density profiles of atomic repulsive Fermi gases in optical lattices (OLs) computed via density functional theory (DFT) against the results of diffusion Monte Carlo (DMC) simulations. The main focus is on a half-filled one-dimensional OLs, for which the DMC simulations performed within the fixed-node approach provide unbiased results. This allows us to demonstrate that the local spin-density approximation (LSDA) to the exchange-correlation functional of DFT is very accurate in the weak and intermediate interactions regime, and also to underline its limitations close to the strongly-interacting Tonks-Girardeau limit and in very deep OLs. We also consider a three-dimensional OL at quarter filling, showing also in this case the high accuracy of the LSDA in the moderate interaction regime. The one-dimensional data provided in this study may represent a useful benchmark to further develop DFT methods beyond the LSDA and they will hopefully motivate experimental studies to accurately measure the equation of state of Fermi gases in higher-dimensional geometries. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjb/e2018-90021-1.
Einstein’s quadrupole formula from the kinetic-conformal Hořava theory
Bellorín, Jorge; Restuccia, Alvaro
We analyze the radiative and nonradiative linearized variables in a gravity theory within the family of the nonprojectable Hořava theories, the Hořava theory at the kinetic-conformal point. There is no extra mode in this formulation, the theory shares the same number of degrees of freedom with general relativity. The large-distance effective action, which is the one we consider, can be given in a generally-covariant form under asymptotically flat boundary conditions, the Einstein-aether theory under the condition of hypersurface orthogonality on the aether vector. In the linearized theory, we find that only the transverse-traceless tensorial modes obey a sourced wave equation, as in general relativity. The rest of variables are nonradiative. The result is gauge-independent at the level of the linearized theory. For the case of a weak source, we find that the leading mode in the far zone is exactly Einstein’s quadrupole formula of general relativity, if some coupling constants are properly identified. There are no monopoles nor dipoles in this formulation, in distinction to the nonprojectable Horava theory outside the kinetic-conformal point. We also discuss some constraints on the theory arising from the observational bounds on Lorentz-violating theories.
Kinetic theory analysis of electron attachment cooling in oxygen
Skullerud, H.R.
1983-01-01
The attachment cooling effect observed by Hegerberg and Crompton (1983) has been analysed theoretically and numerically in a Boltzmann equation eigenvalue approach. The effect is highly sensitive to the shape and magnitude of the rotational excitation cross sections. When due account is taken of the rotational excitations associated with the (O 2 - ) negative ion resonances, good agreement between theory and experiment can be obtained with reasonable input cross-section data
Kinetic theory of magnetic island stability in tokamaks
Zabiego, M.; Garbet, X.
1993-10-01
The non linear behavior of low and large wave number tearing modes is studied. The emphasis is layed on diamagnetic effects. A kinetic equation, including transport processes associated with a background of microturbulence, is used to describe the electron component. Such transport processes are shown to play a significant role in the adjustment of density and temperature profile and also in the calculation of the island rotation frequency. The fluctuating electric potential is calculated self-consistently, using the differential response of electrons and ions. Four regimes are considered, related to island width (smaller or larger than an ion Larmor radius) and transport regime (electron-ion collisions or electro-viscosity dominated). It is shown that diamagnetism does not influence the island stability for small island width in the viscous regime, as long as the constant A constraint is maintained. It turns out that the release of this constraint may strongly modify the previously calculated stability thresholds. Finally, it is found that diamagnetism is destabilizing (stabilizing) for island width smaller (larger) than an ion Larmor radius, in both resistive and viscous regimes. A typical island evolution scenario is studied which shows that even large scale tearing modes with positive Δ ' could saturate to island width of order of a few ion Larmor radii. Illustrative Δ ' threshold and island saturation size are calculated. (authors). 31 refs., 5 figs., 3 tabs
Discretized kinetic theory on scale-free networks
Bertotti, Maria Letizia; Modanese, Giovanni
2016-10-01
The network of interpersonal connections is one of the possible heterogeneous factors which affect the income distribution emerging from micro-to-macro economic models. In this paper we equip our model discussed in [1, 2] with a network structure. The model is based on a system of n differential equations of the kinetic discretized-Boltzmann kind. The network structure is incorporated in a probabilistic way, through the introduction of a link density P(α) and of correlation coefficients P(β|α), which give the conditioned probability that an individual with α links is connected to one with β links. We study the properties of the equations and give analytical results concerning the existence, normalization and positivity of the solutions. For a fixed network with P(α) = c/α q , we investigate numerically the dependence of the detailed and marginal equilibrium distributions on the initial conditions and on the exponent q. Our results are compatible with those obtained from the Bouchaud-Mezard model and from agent-based simulations, and provide additional information about the dependence of the individual income on the level of connectivity.
A simple theory of motor protein kinetics and energetics. II.
Qian, H
2000-01-10
A three-state stochastic model of motor protein [Qian, Biophys. Chem. 67 (1997) pp. 263-267] is further developed to illustrate the relationship between the external load on an individual motor protein in aqueous solution with various ATP concentrations and its steady-state velocity. A wide variety of dynamic motor behavior are obtained from this simple model. For the particular case of free-load translocation being the most unfavorable step within the hydrolysis cycle, the load-velocity curve is quasi-linear, V/Vmax = (cF/Fmax-c)/(1-c), in contrast to the hyperbolic relationship proposed by A.V. Hill for macroscopic muscle. Significant deviation from the linearity is expected when the velocity is less than 10% of its maximal (free-load) value--a situation under which the processivity of motor diminishes and experimental observations are less certain. We then investigate the dependence of load-velocity curve on ATP (ADP) concentration. It is shown that the free load Vmax exhibits a Michaelis-Menten like behavior, and the isometric Fmax increases linearly with ln([ATP]/[ADP]). However, the quasi-linear region is independent of the ATP concentration, yielding an apparently ATP-independent maximal force below the true isometric force. Finally, the heat production as a function of ATP concentration and external load are calculated. In simple terms and solved with elementary algebra, the present model provides an integrated picture of biochemical kinetics and mechanical energetics of motor proteins.
Kinetic Theory of Electronic Transport in Random Magnetic Fields
Lucas, Andrew
2018-03-01
We present the theory of quasiparticle transport in perturbatively small inhomogeneous magnetic fields across the ballistic-to-hydrodynamic crossover. In the hydrodynamic limit, the resistivity ρ generically grows proportionally to the rate of momentum-conserving electron-electron collisions at large enough temperatures T . In particular, the resulting flow of electrons provides a simple scenario where viscous effects suppress conductance below the ballistic value. This new mechanism for ρ ∝T2 resistivity in a Fermi liquid may describe low T transport in single-band SrTiO3 .
Optimizing Sparse Representations of Kinetic Distributions via Information Theory
2017-07-31
Information Theory Robert Martin and Daniel Eckhardt Air Force Research Laboratory (AFMC) AFRL/RQRS 1 Ara Drive Edwards AFB, CA 93524-7013 Air Force...momentum, energy, and physical entropy. N/A Unclassified Unclassified Unclassified SAR 7 Robert Martin N/A Research in Industrial Projects for Students...Journal of Computational Physics, vol. 145, no. 1, pp. 382 – 405, 1998. [7] R. S. Martin , H. Le, D. L. Bilyeu, and S. Gildea, “Plasma model V&V of
Analysis of senior high school student understanding on gas kinetic theory material
Anri, Y.; Maknun, J.; Chandra, D. T.
2018-05-01
The purpose of this research conducted to find out student understanding profile about gas kinetic theory. Particularly, on ideal gas law material, ideal gas equations and kinetic energy of ideal gas. This research was conducted on student of class XII in one of the schools in Bandung. This research is a descriptive research. The data of this research collected by using test instrument which was the essay that has been developed by the researcher based on Bloom’s Taxonomy revised. Based on the analysis result to student answer, this research discovered that whole student has low understanding in the material of gas kinetic theory. This low understanding caused of the misconception of the student, student attitude on physic subjects, and teacher teaching method who are less helpful in obtaining clear pictures in material being taught.
Magne, L; Pasquiers, S; Gadonna, K; Jeanney, P; Blin-Simiand, N; Jorand, F; Postel, C
2009-01-01
The absolute value of the hydroxyl radical was measured in the afterglow of an homogeneous photo-triggered discharge generated in N 2 /O 2 /H 2 O/C 2 H 6 mixtures, using a UV absorption diagnostic synchronized with the discharge current pulse. Measurements show that OH is efficiently produced even in the absence of water vapour in the mixture, and that the radical production is closely linked to the degradation kinetic of the hydrocarbon. Experimental results for dry mixtures, both for OH and for the removal of ethane in the discharge volume, are compared with predictions of a self-consistent 0D discharge and the kinetic model. It appears that the oxidation reaction of the ethane molecule by O( 3 P) atoms plays a minor role. Dissociation of the hydrocarbon through quenching collisions of the nitrogen metastable states are of great importance for a low oxygen concentration value. Also, the oxidation of ethane by O( 1 D) cannot be neglected at high oxygen concentration. The most probable exit channel for N 2 states quenching collisions by ethane is the production of ethene and hydrogen molecules. Afterwards C 2 H 4 should be dissociated to produce H and H 2 . As previously suggested from the study of the OH density time evolution in relative value, the recombination of H and O atoms appears as a main process for the production of OH in transient low temperature plasmas generated in atmospheric gases at high pressure. Another important reaction is the reduction of the HO 2 radical by O, this radical coming from the addition of H on the oxygen molecule. H atoms come from numerous kinetic processes, amongst which is the dissociation of ethene.
Meerson, Baruch; Fouxon, Itzhak; Vilenkin, Arkady
2008-02-01
We employ hydrodynamic equations to investigate nonstationary channel flows of freely cooling dilute gases of hard and smooth spheres with nearly elastic particle collisions. This work focuses on the regime where the sound travel time through the channel is much shorter than the characteristic cooling time of the gas. As a result, the gas pressure rapidly becomes almost homogeneous, while the typical Mach number of the flow drops well below unity. Eliminating the acoustic modes and employing Lagrangian coordinates, we reduce the hydrodynamic equations to a single nonlinear and nonlocal equation of a reaction-diffusion type. This equation describes a broad class of channel flows and, in particular, can follow the development of the clustering instability from a weakly perturbed homogeneous cooling state to strongly nonlinear states. If the heat diffusion is neglected, the reduced equation becomes exactly soluble, and the solution develops a finite-time density blowup. The blowup has the same local features at singularity as those exhibited by the recently found family of exact solutions of the full set of ideal hydrodynamic equations [I. Fouxon, Phys. Rev. E 75, 050301(R) (2007); I. Fouxon,Phys. Fluids 19, 093303 (2007)]. The heat diffusion, however, always becomes important near the attempted singularity. It arrests the density blowup and brings about previously unknown inhomogeneous cooling states (ICSs) of the gas, where the pressure continues to decay with time, while the density profile becomes time-independent. The ICSs represent exact solutions of the full set of granular hydrodynamic equations. Both the density profile of an ICS and the characteristic relaxation time toward it are determined by a single dimensionless parameter L that describes the relative role of the inelastic energy loss and heat diffusion. At L>1 the intermediate cooling dynamics proceeds as a competition between "holes": low-density regions of the gas. This competition resembles Ostwald
Collective learning modeling based on the kinetic theory of active particles.
Burini, D; De Lillo, S; Gibelli, L
2016-03-01
This paper proposes a systems approach to the theory of perception and learning in populations composed of many living entities. Starting from a phenomenological description of these processes, a mathematical structure is derived which is deemed to incorporate their complexity features. The modeling is based on a generalization of kinetic theory methods where interactions are described by theoretical tools of game theory. As an application, the proposed approach is used to model the learning processes that take place in a classroom. Copyright © 2015 Elsevier B.V. All rights reserved.
Active matter beyond mean-field: ring-kinetic theory for self-propelled particles.
Chou, Yen-Liang; Ihle, Thomas
2015-02-01
Recently, Hanke et al. [Phys. Rev. E 88, 052309 (2013)] showed that mean-field kinetic theory fails to describe collective motion in soft active colloids and that correlations must not be neglected. Correlation effects are also expected to be essential in systems of biofilaments driven by molecular motors and in swarms of midges. To obtain correlations in an active matter system from first principles, we derive a ring-kinetic theory for Vicsek-style models of self-propelled agents from the exact N-particle evolution equation in phase space. The theory goes beyond mean-field and does not rely on Boltzmann's approximation of molecular chaos. It can handle precollisional correlations and cluster formation, which are both important to understand the phase transition to collective motion. We propose a diagrammatic technique to perform a small-density expansion of the collision operator and derive the first two equations of the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy. An algorithm is presented that numerically solves the evolution equation for the two-particle correlations on a lattice. Agent-based simulations are performed and informative quantities such as orientational and density correlation functions are compared with those obtained by ring-kinetic theory. Excellent quantitative agreement between simulations and theory is found at not-too-small noises and mean free paths. This shows that there are parameter ranges in Vicsek-like models where the correlated closure of the BBGKY hierarchy gives correct and nontrivial results. We calculate the dependence of the orientational correlations on distance in the disordered phase and find that it seems to be consistent with a power law with an exponent around -1.8, followed by an exponential decay. General limitations of the kinetic theory and its numerical solution are discussed.
Theory and simulation of discrete kinetic beta induced Alfven eigenmode in tokamak plasmas
Wang, X; Zonca, F; Chen, L
2010-01-01
It is shown, both analytically and by numerical simulations, that, in the presence of thermal ion kinetic effects, the beta induced Alfven eigenmode (BAE)-shear Alfven wave continuous spectrum can be discretized into radially trapped eigenstates known as kinetic BAE (KBAE). While thermal ion compressibility gives rise to finite BAE accumulation point frequency, the discretization occurs via the finite Larmor radius and finite orbit width effects. Simulations and analytical theories agree both qualitatively and quantitatively. Simulations also demonstrate that KBAE can be readily excited by the finite radial gradients of energetic particles.
Gas-Kinetic Theory Based Flux Splitting Method for Ideal Magnetohydrodynamics
Xu, Kun
1998-01-01
A gas-kinetic solver is developed for the ideal magnetohydrodynamics (MHD) equations. The new scheme is based on the direct splitting of the flux function of the MHD equations with the inclusion of "particle" collisions in the transport process. Consequently, the artificial dissipation in the new scheme is much reduced in comparison with the MHD Flux Vector Splitting Scheme. At the same time, the new scheme is compared with the well-developed Roe-type MHD solver. It is concluded that the kinetic MHD scheme is more robust and efficient than the Roe- type method, and the accuracy is competitive. In this paper the general principle of splitting the macroscopic flux function based on the gas-kinetic theory is presented. The flux construction strategy may shed some light on the possible modification of AUSM- and CUSP-type schemes for the compressible Euler equations, as well as to the development of new schemes for a non-strictly hyperbolic system.
Mathur, Anil K; Sundaramurthy, J; Balomajumder, C
2006-10-11
The performance of a trickle bed air biofilter (TBAB) in the removal of mono-chlorobenzene (MCB) was evaluated in concentrations varying from 0.133 to 7.187 g m(-3) and at empty bed residence time (EBRT) varying from 37.7 to 188.52 s. More than 90% removal efficiency in the trickle bed air biofilter was achieved for the inlet MCB concentration up to 1.069 g m(-3) and EBRT less than 94.26 s. The trickle bed air biofilter was constructed with coal packing material, inoculated with a mixed consortium of activated sludge obtained from sewage treatment plant. The continuous performance of the removal of MCB in the trickle bed air biofilter was monitored for various gas concentrations, gas flow rates, and empty bed residence time. The experiment was conducted for a period of 75 days. The trickle bed air biofilter degrading MCB with an average elimination capacity of 80 g m(-3) h(-1) was obtained. The effect of starvation was also studied. After starvation period of 8 days, the degradation was low but recovered within a short period of time. Using macrokinetic determination method, the Michaelis-Menten kinetic constant K(m) and maximum reaction rate, r(max) evaluated as 0.121 g m(-3) s(-1) and 7.45 g m(-3), respectively.
Ren-Tai, Chiang
2003-01-01
An ω-mode first-order perturbation theory is developed for analyzing the time- and space-dependent neutron behavior in Accelerator-Driven Subcritical Systems (ADSS). The generalized point-kinetics equations are systematically derived using the ω-mode first-order perturbation theory and Fredholm Alternative Theorem. Seven sets of the ω-mode eigenvalues exist with using six groups of delayed neutrons and all ω eigenvalues are negative in ADSS. Seven ω-mode adjoint and forward eigenfunctions are employed to form the point-kinetic parameters. The neutron flux is expressed as a linear combination of the products of seven ω-eigenvalue-mode shape functions and their corresponding time functions up to the first order terms, and the lowest negative ω-eigenvalue mode is the dominant mode. (author)
Zeng, G.L.; Gullberg, G.T.
1995-01-01
It is common practice to estimate kinetic parameters from dynamically acquired tomographic data by first reconstructing a dynamic sequence of three-dimensional reconstructions and then fitting the parameters to time activity curves generated from the time-varying reconstructed images. However, in SPECT, the pharmaceutical distribution can change during the acquisition of a complete tomographic data set, which can bias the estimated kinetic parameters. It is hypothesized that more accurate estimates of the kinetic parameters can be obtained by fitting to the projection measurements instead of the reconstructed time sequence. Estimation from projections requires the knowledge of their relationship between the tissue regions of interest or voxels with particular kinetic parameters and the project measurements, which results in a complicated nonlinear estimation problem with a series of exponential factors with multiplicative coefficients. A technique is presented in this paper where the exponential decay parameters are estimated separately using linear time-invariant system theory. Once the exponential factors are known, the coefficients of the exponentials can be estimated using linear estimation techniques. Computer simulations demonstrate that estimation of the kinetic parameters directly from the projections is more accurate than the estimation from the reconstructed images
Kinetic theory for radiation interacting with sound waves in ultrarelativistic pair plasmas
Marklund, Mattias; Shukla, Padma K.; Stenflo, Lennart
2006-01-01
A kinetic theory for radiation interacting with sound waves in an ultrarelativistic electron-positron plasma is developed. It is shown that the effect of a spatial spectral broadening of the electromagnetic pulse is to introduce a reduction of the growth rates for the decay and modulational instabilities. Such spectral broadening could be due to a finite pulse coherence length, or through the use of random phase filters, and would stabilize the propagation of electromagnetic pulses
Evans, G.T.
1987-01-01
The differential orientational cross section, obtainable from molecular beam experiments on aligned molecules, is calculated using the line-of-normals model for reactive collisions involving hard convex bodies. By means of kinetic theory methods, the dependence of the cross section on the angle of attack γ 0 is expressed in a Legendre function expansion. Each of the Legendre expansion coefficients is given by an integral over the molecule-fixed cross section and functions of the orientation dependent threshold energy
The onset of fluid-dynamical behavior in relativistic kinetic theory
Noronha, Jorge; Denicol, Gabriel S.
2017-11-01
In this proceedings we discuss recent findings regarding the large order behavior of the Chapman-Enskog expansion in relativistic kinetic theory. It is shown that this series in powers of the Knudsen number has zero radius of convergence in the case of a Bjorken expanding fluid described by the Boltzmann equation in the relaxation time approximation. This divergence stems from the presence of non-hydrodynamic modes, which give non-perturbative contributions to the Knudsen series.
Frank, T.D.
2002-01-01
We study many particle systems in the context of mean field forces, concentration-dependent diffusion coefficients, generalized equilibrium distributions, and quantum statistics. Using kinetic transport theory and linear nonequilibrium thermodynamics we derive for these systems a generalized multivariate Fokker-Planck equation. It is shown that this Fokker-Planck equation describes relaxation processes, has stationary maximum entropy distributions, can have multiple stationary solutions and stationary solutions that differ from Boltzmann distributions
Ottonello, Giulio; Richet, Pascal
2014-01-01
The existing solubility data on noble gases in high-temperature silicate melts have been analyzed in terms of Scaling Particle Theory coupled with an ab initio assessment of the electronic, dispersive, and repulsive energy terms based on the Polarized Continuum Model (PCM). After a preliminary analysis of the role of the contracted Gaussian basis sets and theory level in reproducing appropriate static dipole polarizabilities in a vacuum, we have shown that the procedure returns Henry's law constants consistent with the values experimentally observed in water and benzene at T = 25 °C and P = 1 bar for the first four elements of the series. The static dielectric constant (ε) of the investigated silicate melts and its optical counterpart (ε ∞ ) were then resolved through the application of a modified form of the Clausius-Mossotti relation. Argon has been adopted as a probe to depict its high-T solubility in melts through an appropriate choice of the solvent diameter σ s , along the guidelines already used in the past for simple media such as water or benzene. The σ s obtained was consistent with a simple functional form based on the molecular volume of the solvent. The solubility calculations were then extended to He, Ne, and Kr, whose dispersive and repulsive coefficients are available from theory and we have shown that their ab initio Henry's constants at high T reproduce the observed increase with the static polarizability of the series element with reasonable accuracy. At room temperature (T = 25 °C) the calculated Henry's constants of He, Ne, Ar, and Kr in the various silicate media predict higher solubilities than simple extrapolations (i.e., Arrhenius plots) based on high-T experiments and give rise to smooth trends not appreciably affected by the static polarizabilities of the solutes. The present investigation opens new perspectives on a wider application of PCM theory which can be extended to materials of great industrial interest at the core of
Ottonello, Giulio, E-mail: giotto@dipteris.unige.it [DISTAV, Università di Genova, Corso Europa 26, 16132 Genova (Italy); Richet, Pascal [Institut de Physique du Globe, Rue Jussieu 2, 75005 Paris (France)
2014-01-28
The existing solubility data on noble gases in high-temperature silicate melts have been analyzed in terms of Scaling Particle Theory coupled with an ab initio assessment of the electronic, dispersive, and repulsive energy terms based on the Polarized Continuum Model (PCM). After a preliminary analysis of the role of the contracted Gaussian basis sets and theory level in reproducing appropriate static dipole polarizabilities in a vacuum, we have shown that the procedure returns Henry's law constants consistent with the values experimentally observed in water and benzene at T = 25 °C and P = 1 bar for the first four elements of the series. The static dielectric constant (ε) of the investigated silicate melts and its optical counterpart (ε{sup ∞}) were then resolved through the application of a modified form of the Clausius-Mossotti relation. Argon has been adopted as a probe to depict its high-T solubility in melts through an appropriate choice of the solvent diameter σ{sub s}, along the guidelines already used in the past for simple media such as water or benzene. The σ{sub s} obtained was consistent with a simple functional form based on the molecular volume of the solvent. The solubility calculations were then extended to He, Ne, and Kr, whose dispersive and repulsive coefficients are available from theory and we have shown that their ab initio Henry's constants at high T reproduce the observed increase with the static polarizability of the series element with reasonable accuracy. At room temperature (T = 25 °C) the calculated Henry's constants of He, Ne, Ar, and Kr in the various silicate media predict higher solubilities than simple extrapolations (i.e., Arrhenius plots) based on high-T experiments and give rise to smooth trends not appreciably affected by the static polarizabilities of the solutes. The present investigation opens new perspectives on a wider application of PCM theory which can be extended to materials of great
Ottonello, Giulio; Richet, Pascal
2014-01-28
The existing solubility data on noble gases in high-temperature silicate melts have been analyzed in terms of Scaling Particle Theory coupled with an ab initio assessment of the electronic, dispersive, and repulsive energy terms based on the Polarized Continuum Model (PCM). After a preliminary analysis of the role of the contracted Gaussian basis sets and theory level in reproducing appropriate static dipole polarizabilities in a vacuum, we have shown that the procedure returns Henry's law constants consistent with the values experimentally observed in water and benzene at T = 25 °C and P = 1 bar for the first four elements of the series. The static dielectric constant (ɛ) of the investigated silicate melts and its optical counterpart (ɛ(∞)) were then resolved through the application of a modified form of the Clausius-Mossotti relation. Argon has been adopted as a probe to depict its high-T solubility in melts through an appropriate choice of the solvent diameter σs, along the guidelines already used in the past for simple media such as water or benzene. The σs obtained was consistent with a simple functional form based on the molecular volume of the solvent. The solubility calculations were then extended to He, Ne, and Kr, whose dispersive and repulsive coefficients are available from theory and we have shown that their ab initio Henry's constants at high T reproduce the observed increase with the static polarizability of the series element with reasonable accuracy. At room temperature (T = 25 °C) the calculated Henry's constants of He, Ne, Ar, and Kr in the various silicate media predict higher solubilities than simple extrapolations (i.e., Arrhenius plots) based on high-T experiments and give rise to smooth trends not appreciably affected by the static polarizabilities of the solutes. The present investigation opens new perspectives on a wider application of PCM theory which can be extended to materials of great industrial interest at the core of
The Pade approximate method for solving problems in plasma kinetic theory
Jasperse, J.R.; Basu, B.
1992-01-01
The method of Pade Approximates has been a powerful tool in solving for the time dependent propagator (Green function) in model quantum field theories. We have developed a modified Pade method which we feel has promise for solving linearized collisional and weakly nonlinear problems in plasma kinetic theory. In order to illustrate the general applicability of the method, in this paper we discuss Pade solutions for the linearized collisional propagator and the collisional dielectric function for a model collisional problem. (author) 3 refs., 2 tabs
Rose, D. V.; Welch, D. R.; Clark, R. E.; Thoma, C.; Zimmerman, W. R.; Bruner, N.; Rambo, P. K.; Atherton, B. W.
2011-01-01
Streamer and leader formation in high pressure devices is dynamic process involving a broad range of physical phenomena. These include elastic and inelastic particle collisions in the gas, radiation generation, transport and absorption, and electrode interactions. Accurate modeling of these physical processes is essential for a number of applications, including high-current, laser-triggered gas switches. Towards this end, we present a new 3D implicit particle-in-cell simulation model of gas breakdown leading to streamer formation in electronegative gases. The model uses a Monte Carlo treatment for all particle interactions and includes discrete photon generation, transport, and absorption for ultra-violet and soft x-ray radiation. Central to the realization of this fully kinetic particle treatment is an algorithm that manages the total particle count by species while preserving the local momentum distribution functions and conserving charge [D. R. Welch, T. C. Genoni, R. E. Clark, and D. V. Rose, J. Comput. Phys. 227, 143 (2007)]. The simulation model is fully electromagnetic, making it capable of following, for example, the evolution of a gas switch from the point of laser-induced localized breakdown of the gas between electrodes through the successive stages of streamer propagation, initial electrode current connection, and high-current conduction channel evolution, where self-magnetic field effects are likely to be important. We describe the model details and underlying assumptions used and present sample results from 3D simulations of streamer formation and propagation in SF 6 .
Rose, D. V.; Welch, D. R.; Clark, R. E.; Thoma, C.; Zimmerman, W. R.; Bruner, N.; Rambo, P. K.; Atherton, B. W.
2011-09-01
Streamer and leader formation in high pressure devices is dynamic process involving a broad range of physical phenomena. These include elastic and inelastic particle collisions in the gas, radiation generation, transport and absorption, and electrode interactions. Accurate modeling of these physical processes is essential for a number of applications, including high-current, laser-triggered gas switches. Towards this end, we present a new 3D implicit particle-in-cell simulation model of gas breakdown leading to streamer formation in electronegative gases. The model uses a Monte Carlo treatment for all particle interactions and includes discrete photon generation, transport, and absorption for ultra-violet and soft x-ray radiation. Central to the realization of this fully kinetic particle treatment is an algorithm that manages the total particle count by species while preserving the local momentum distribution functions and conserving charge [D. R. Welch, T. C. Genoni, R. E. Clark, and D. V. Rose, J. Comput. Phys. 227, 143 (2007)]. The simulation model is fully electromagnetic, making it capable of following, for example, the evolution of a gas switch from the point of laser-induced localized breakdown of the gas between electrodes through the successive stages of streamer propagation, initial electrode current connection, and high-current conduction channel evolution, where self-magnetic field effects are likely to be important. We describe the model details and underlying assumptions used and present sample results from 3D simulations of streamer formation and propagation in SF6.
Rose, D. V.; Welch, D. R.; Clark, R. E.; Thoma, C.; Zimmerman, W. R.; Bruner, N. [Voss Scientific, LLC, Albuquerque, New Mexico 87108 (United States); Rambo, P. K.; Atherton, B. W. [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)
2011-09-15
Streamer and leader formation in high pressure devices is dynamic process involving a broad range of physical phenomena. These include elastic and inelastic particle collisions in the gas, radiation generation, transport and absorption, and electrode interactions. Accurate modeling of these physical processes is essential for a number of applications, including high-current, laser-triggered gas switches. Towards this end, we present a new 3D implicit particle-in-cell simulation model of gas breakdown leading to streamer formation in electronegative gases. The model uses a Monte Carlo treatment for all particle interactions and includes discrete photon generation, transport, and absorption for ultra-violet and soft x-ray radiation. Central to the realization of this fully kinetic particle treatment is an algorithm that manages the total particle count by species while preserving the local momentum distribution functions and conserving charge [D. R. Welch, T. C. Genoni, R. E. Clark, and D. V. Rose, J. Comput. Phys. 227, 143 (2007)]. The simulation model is fully electromagnetic, making it capable of following, for example, the evolution of a gas switch from the point of laser-induced localized breakdown of the gas between electrodes through the successive stages of streamer propagation, initial electrode current connection, and high-current conduction channel evolution, where self-magnetic field effects are likely to be important. We describe the model details and underlying assumptions used and present sample results from 3D simulations of streamer formation and propagation in SF{sub 6}.
A thermostatted kinetic theory model for event-driven pedestrian dynamics
Bianca, Carlo; Mogno, Caterina
2018-06-01
This paper is devoted to the modeling of the pedestrian dynamics by means of the thermostatted kinetic theory. Specifically the microscopic interactions among pedestrians and an external force field are modeled for simulating the evacuation of pedestrians from a metro station. The fundamentals of the stochastic game theory and the thermostatted kinetic theory are coupled for the derivation of a specific mathematical model which depicts the time evolution of the distribution of pedestrians at different exits of a metro station. The perturbation theory is employed in order to establish the stability analysis of the nonequilibrium stationary states in the case of a metro station consisting of two exits. A general sensitivity analysis on the initial conditions, the magnitude of the external force field and the number of exits is presented by means of numerical simulations which, in particular, show how the asymptotic distribution and the convergence time are affected by the presence of an external force field. The results show how, in evacuation conditions, the interaction dynamics among pedestrians can be negligible with respect to the external force. The important role of the thermostat term in allowing the reaching of the nonequilibrium stationary state is stressed out. Research perspectives are underlined at the end of paper, in particular for what concerns the derivation of frameworks that take into account the definition of local external actions and the introduction of the space and velocity dynamics.
Spectral methods in chemistry and physics applications to kinetic theory and quantum mechanics
Shizgal, Bernard
2015-01-01
This book is a pedagogical presentation of the application of spectral and pseudospectral methods to kinetic theory and quantum mechanics. There are additional applications to astrophysics, engineering, biology and many other fields. The main objective of this book is to provide the basic concepts to enable the use of spectral and pseudospectral methods to solve problems in diverse fields of interest and to a wide audience. While spectral methods are generally based on Fourier Series or Chebychev polynomials, non-classical polynomials and associated quadratures are used for many of the applications presented in the book. Fourier series methods are summarized with a discussion of the resolution of the Gibbs phenomenon. Classical and non-classical quadratures are used for the evaluation of integrals in reaction dynamics including nuclear fusion, radial integrals in density functional theory, in elastic scattering theory and other applications. The subject matter includes the calculation of transport coefficient...
Two new proofs of the test particle superposition principle of plasma kinetic theory
Krommes, J.A.
1975-12-01
The test particle superposition principle of plasma kinetic theory is discussed in relation to the recent theory of two-time fluctuations in plasma given by Williams and Oberman. Both a new deductive and a new inductive proof of the principle are presented. The fundamental observation is that two-time expectations of one-body operators are determined completely in terms of the (x,v) phase space density autocorrelation, which to lowest order in the discreteness parameter obeys the linearized Vlasov equation with singular initial condition. For the deductive proof, this equation is solved formally using time-ordered operators, and the solution then rearranged into the superposition principle. The inductive proof is simpler than Rostoker's, although similar in some ways; it differs in that first order equations for pair correlation functions need not be invoked. It is pointed out that the superposition principle is also applicable to the short-time theory of neutral fluids
Xiao, Yunlong; Zhang, Yong; Liu, Wenjian, E-mail: liuwjbdf@gmail.com [Beijing National Laboratory for Molecular Sciences, Institute of Theoretical and Computational Chemistry, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, and Center for Computational Science and Engineering, Peking University, Beijing 100871 (China)
2014-10-28
Both kinetically balanced (KB) and kinetically unbalanced (KU) rotational London orbitals (RLO) are proposed to resolve the slow basis set convergence in relativistic calculations of nuclear spin-rotation (NSR) coupling tensors of molecules containing heavy elements [Y. Xiao and W. Liu, J. Chem. Phys. 138, 134104 (2013)]. While they perform rather similarly, the KB-RLO Ansatz is clearly preferred as it ensures the correct nonrelativistic limit even with a finite basis. Moreover, it gives rise to the same “direct relativistic mapping” between nuclear magnetic resonance shielding and NSR coupling tensors as that without using the London orbitals [Y. Xiao, Y. Zhang, and W. Liu, J. Chem. Theory Comput. 10, 600 (2014)].
... Production of Hydrogen Use of Hydrogen Greenhouse Gases Basics | | Did you know? Without naturally occurring greenhouse gases, the earth would be too cold to support life as we know it. Without the greenhouse effect, ...
PADÉ APPROXIMANTS FOR THE EQUATION OF STATE FOR RELATIVISTIC HYDRODYNAMICS BY KINETIC THEORY
Tsai, Shang-Hsi; Yang, Jaw-Yen, E-mail: shanghsi@gmail.com [Institute of Applied Mechanics, National Taiwan University, Taipei 10764, Taiwan (China)
2015-07-20
A two-point Padé approximant (TPPA) algorithm is developed for the equation of state (EOS) for relativistic hydrodynamic systems, which are described by the classical Maxwell–Boltzmann statistics and the semiclassical Fermi–Dirac statistics with complete degeneracy. The underlying rational function is determined by the ratios of the macroscopic state variables with various orders of accuracy taken at the extreme relativistic limits. The nonunique TPPAs are validated by Taub's inequality for the consistency of the kinetic theory and the special theory of relativity. The proposed TPPA is utilized in deriving the EOS of the dilute gas and in calculating the specific heat capacity, the adiabatic index function, and the isentropic sound speed of the ideal gas. Some general guidelines are provided for the application of an arbitrary accuracy requirement. The superiority of the proposed TPPA is manifested in manipulating the constituent polynomials of the approximants, which avoids the arithmetic complexity of struggling with the modified Bessel functions and the hyperbolic trigonometric functions arising from the relativistic kinetic theory.
Quantum kinetic theory of metal clusters in an intense electromagnetic field
M.Bonitz
2004-01-01
Full Text Available A quantum kinetic theory for weakly inhomogeneous charged particle systems is derived within the framework of nonequilibrium Green's functions. The results are of relevance for valence electrons of metal clusters as well as for confined Coulomb systems, such as electrons in quantum dots or ultracold ions in traps and similar systems. To be specific, here we concentrate on the application to metal clusters, but the results are straightforwardly generalized. Therefore, we first give an introduction to the physics of correlated valence electrons of metal clusters in strong electromagnetic fields. After a brief overview on the jellium model and the standard density functional approach to the ground state properties, we focus on the extension of the theory to nonequilibrium. To this end a general gauge-invariant kinetic theory is developed. The results include the equations of motion of the two-time correlation functions, the equation for the Wigner function and an analysis of the spectral function. Here, the concept of an effective quantum potential is introduced which retains the convenient local form of the propagators. This allows us to derive explicit results for the spectral function of electrons in a combined strong electromagnetic field and a weakly inhomogeneous confinement potential.
Lorant, F.
1999-06-23
the mechanisms of cracking and the isotopic processes. Following this concept, a general class-compound model for the production and the degradation of oil and gas, including the calculation of the isotopic compositions, was set up. The kinetic scheme, based on that proposed by Behar et at. (1992), comprises 10 first-order reactions whose pre exponential factors (A) are not all the same. The various kinetic and isotopic parameters were determined on the basis of pyrolysis experiments performed on an immature Type II kerogen. The first simulations at low temperature show that this model can reproduce isotopic trends that are consistent with natural observations. However the current uncertainty on the isotopic parameters does not yet allow a confident utilization of the model to predict the {delta}{sup 13}C of hydrocarbon gases is the geological conditions. (author)
Kinetic theory of runaway air breakdown and the implications for lightning initiation
Roussel-Dupre, R.A.; Gurevich, A.V.; Tunnell, T.; Milikh, G.M.
1993-11-01
The kinetic theory for a new air breakdown mechanism advanced in a previous paper is developed. The relevant form of the Boltzmann equation is derived and the particle orbits in both velocity space and configuration space are computed. A numerical solution of the Boltzmann equation, assuring a spatially uniform electric field, is obtained and the temporal evolution of the electron velocity distribution function is described. The results of our analysis are used to estimate the magnitude of potential x-ray emissions from discharges in thunderstorms and are examined in the context of lightning initiation
Worked problems in heat, thermodynamics and kinetic theory for physics students
Pincherle, L; Green, L L
2013-01-01
Worked Problems in Heat, Thermodynamics and Kinetic Theory for Physics Students is a complementary to textbooks in physics. This book is a collection of exercise problems that have been part of tutorial classes in heat and thermodynamics at the University of London. This collection of exercise problems, with answers that are fully worked out, deals with various topics. This book poses problems covering the definition of temperature such as calculating the assigned value of the temperature of boiling water under specific conditions. This text also gives example of problems dealing with the fir
On the Discrete Kinetic Theory for Active Particles. Modelling the Immune Competition
I. Brazzoli
2006-01-01
Full Text Available This paper deals with the application of the mathematical kinetic theory for active particles, with discrete activity states, to the modelling of the immune competition between immune and cancer cells. The first part of the paper deals with the assessment of the mathematical framework suitable for the derivation of the models. Two specific models are derived in the second part, while some simulations visualize the applicability of the model to the description of biological events characterizing the immune competition. A final critical outlines some research perspectives.
Theory of multiwave mixing within the superconducting kinetic-inductance traveling-wave amplifier
Erickson, R. P.; Pappas, D. P.
2017-03-01
We present a theory of parametric mixing within the coplanar waveguide (CPW) of a superconducting nonlinear kinetic-inductance traveling-wave (KIT) amplifier engineered with periodic dispersion loadings. This is done by first developing a metamaterial band theory of the dispersion-engineered KIT using a Floquet-Bloch construction and then applying it to the description of mixing of the nonlinear RF traveling waves. Our theory allows us to calculate signal gain versus signal frequency in the presence of a frequency stop gap, based solely on loading design. We present results for both three-wave mixing (3WM), with applied dc bias, and four-wave mixing (4WM), without dc. Our theory predicts an intrinsic and deterministic origin to undulations of 4WM signal gain with signal frequency, apart from extrinsic sources, such as impedance mismatch, and shows that such undulations are absent from 3WM signal gain achievable with dc. Our theory is extensible to amplifiers based on Josephson junctions in a lumped LC-ladder transmission line (TWPA).
Experimental evidence of the role of viscosity in the molecular kinetic theory of dynamic wetting.
Duvivier, D; Seveno, D; Rioboo, R; Blake, T D; De Coninck, J
2011-11-01
We report an experimental study of the dynamics of spontaneous spreading of aqueous glycerol drops on glass. For a range of glycerol concentrations, we follow the evolution of the radius and contact angle over several decades of time and investigate the influence of solution viscosity. The application of the molecular kinetic theory to the resulting data allows us to extract the coefficient of contact-line friction ζ, the molecular jump frequency κ(0), and the jump length λ for each solution. Our results show that the modified theory, which explicitly accounts for the effect of viscosity, can successfully be applied to droplet spreading. The viscosity affects the jump frequency but not the jump length. In combining these data, we confirm that the contact-line friction of the solution/air interface against the glass is proportional to the viscosity and exponentially dependent on the work of adhesion.
Classical Michaelis-Menten and system theory approach to modeling metabolite formation kinetics.
Popović, Jovan
2004-01-01
When single doses of drug are administered and kinetics are linear, techniques, which are based on the compartment approach and the linear system theory approach, in modeling the formation of the metabolite from the parent drug are proposed. Unlike the purpose-specific compartment approach, the methodical, conceptual and computational uniformity in modeling various linear biomedical systems is the dominant characteristic of the linear system approach technology. Saturation of the metabolic reaction results in nonlinear kinetics according to the Michaelis-Menten equation. The two compartment open model with Michaelis-Menten elimination kinetics is theorethicaly basic when single doses of drug are administered. To simulate data or to fit real data using this model, one must resort to numerical integration. A biomathematical model for multiple dosage regimen calculations of nonlinear metabolic systems in steady-state and a working example with phenytoin are presented. High correlation between phenytoin steady-state serum levels calculated from individual Km and Vmax values in the 15 adult epileptic outpatients and the observed levels at the third adjustment of phenytoin daily dose (r=0.961, p<0.01) were found.
Ellegaard, Martin Dela; Abildskov, Jens; O’Connell, John P.
2011-01-01
The solubilities of gases in ionic liquids and compressed liquid densities have been successfully described over a wide range of conditions using a reformulated corresponding-states formulation for direct correlation function integrals. In addition, comparisons with experimental data show reliabl...... prediction of ionic liquid characteristic properties from simple rules.......The solubilities of gases in ionic liquids and compressed liquid densities have been successfully described over a wide range of conditions using a reformulated corresponding-states formulation for direct correlation function integrals. In addition, comparisons with experimental data show reliable...
Fahleson, Tobias; Norman, Patrick; Coriani, Sonia; Rizzo, Antonio; Rikken, Geert L. J. A.
2013-01-01
We report on the results of a systematic ab initio study of the Jones birefringence of noble gases, of furan homologues, and of monosubstituted benzenes, in the gas phase, with the aim of analyzing the behavior and the trends within a list of systems of varying size and complexity, and of identifying candidates for a combined experimental/theoretical study of the effect. We resort here to analytic linear and nonlinear response functions in the framework of time-dependent density functional theory. A correlation is made between the observable (the Jones constant) and the atomic radius for noble gases, or the permanent electric dipole and a structure/chemical reactivity descriptor as the para Hammett constant for substituted benzenes
Non-topological solitons in field theories with kinetic self-coupling
Diaz-Alonso, Joaquin; Rubiera-Garcia, Diego
2007-01-01
We investigate some fundamental features of a class of non-linear relativistic Lagrangian field theories with kinetic self-coupling. We focus our attention upon theories admitting static, spherically symmetric solutions in three space dimensions which are finite-energy and stable. We determine general conditions for the existence and stability of these non-topological soliton solutions. In particular, we perform a linear stability analysis that goes beyond the usual Derrick-like criteria. On the basis of these considerations we obtain a complete characterization of the soliton-supporting members of the aforementioned class of non-linear field theories. We then classify the family of soliton-supporting theories according to the central and asymptotic behaviors of the soliton field, and provide illustrative explicit examples of models belonging to each of the corresponding sub-families. In the present work we restrict most of our considerations to one and many-components scalar models. We show that in these cases the finite-energy static spherically symmetric solutions are stable against charge-preserving perturbations, provided that the vacuum energy of the model vanishes and the energy density is positive definite. We also discuss briefly the extension of the present approach to models involving other types of fields, but a detailed study of this more general scenario will be addressed in a separate publication
On the Connection between Kinetic Monte Carlo and the Burton-Cabrera-Frank Theory
Patrone, Paul; Margetis, Dionisios; Einstein, T. L.
2013-03-01
In the many years since it was first proposed, the Burton- Cabrera-Frank (BCF) model of step-flow has been experimentally established as one of the cornerstones of surface physics. However, many questions remain regarding the underlying physical processes and theoretical assumptions that give rise to the BCF theory. In this work, we formally derive the BCF theory from an atomistic, kinetic Monte Carlo model of the surface in 1 +1 dimensions with one step. Our analysis (i) shows how the BCF theory describes a surface with a low density of adsorbed atoms, and (ii) establishes a set of near-equilibrium conditions ensuring that the theory remains valid for all times. Support for PP was provided by the NIST-ARRA Fellowship Award No. 70NANB10H026 through UMD. Support for TLE and PP was also provided by the CMTC at UMD, with ancillary support from the UMD MRSEC. Support for DM was provided by NSF DMS0847587 at UMD.
Kinetic theory of age-structured stochastic birth-death processes
Greenman, Chris D.; Chou, Tom
2016-01-01
Classical age-structured mass-action models such as the McKendrick-von Foerster equation have been extensively studied but are unable to describe stochastic fluctuations or population-size-dependent birth and death rates. Stochastic theories that treat semi-Markov age-dependent processes using, e.g., the Bellman-Harris equation do not resolve a population's age structure and are unable to quantify population-size dependencies. Conversely, current theories that include size-dependent population dynamics (e.g., mathematical models that include carrying capacity such as the logistic equation) cannot be easily extended to take into account age-dependent birth and death rates. In this paper, we present a systematic derivation of a new, fully stochastic kinetic theory for interacting age-structured populations. By defining multiparticle probability density functions, we derive a hierarchy of kinetic equations for the stochastic evolution of an aging population undergoing birth and death. We show that the fully stochastic age-dependent birth-death process precludes factorization of the corresponding probability densities, which then must be solved by using a Bogoliubov--Born--Green--Kirkwood--Yvon-like hierarchy. Explicit solutions are derived in three limits: no birth, no death, and steady state. These are then compared with their corresponding mean-field results. Our results generalize both deterministic models and existing master equation approaches by providing an intuitive and efficient way to simultaneously model age- and population-dependent stochastic dynamics applicable to the study of demography, stem cell dynamics, and disease evolution.
Christophorou, L.G.
1981-01-01
Recent knowledge on electronegative gases essential for the effective control of the number densities of free electrons in electrically stressed gases is highlighted. This knowledge aided the discovery of new gas dielectrics and the tailoring of gas dielectric mixtures. The role of electron attachment in the choice of unitary gas dielectrics or electronegative components in dielectric gas mixtures, and the role of electron scattering at low energies in the choice of buffer gases for such mixtures is outlined
Tserkovnikov, Yu.A.
2001-01-01
The regular method for deriving the equations for the Green functions in the tasks on the molecular hydrodynamics and kinetics, making it possible to account consequently the contribution into the generalized kinetics coefficients, conditioned by interaction of two, three and more hydrodynamic modes. In contrast to the general theory of perturbations by the interaction constant the consequent approximations are accomplished by the degree of accounting for the higher correlations, described by the irreducible functions [ru
Santos, R.S. dos
1993-01-01
This paper presents a computational program to solve numerically the reactor kinetics equations in the multigroup diffusion theory. One or two-dimensional problems in cylindrical or Cartesian geometries, with any number of energy and delayed-neutron precursors groups are dealt with. The main input and output of the program are briefly discussed. Various results demonstrate the accuracy and versatility of the program, when compared with other kinetics programs. (author)
Two new proofs of the test particle superposition principle of plasma kinetic theory
Krommes, J.A.
1976-01-01
The test particle superposition principle of plasma kinetic theory is discussed in relation to the recent theory of two-time fluctuations in plasma given by Williams and Oberman. Both a new deductive and a new inductive proof of the principle are presented; the deductive approach appears here for the first time in the literature. The fundamental observation is that two-time expectations of one-body operators are determined completely in terms of the (x,v) phase space density autocorrelation, which to lowest order in the discreteness parameter obeys the linearized Vlasov equation with singular initial condition. For the deductive proof, this equation is solved formally using time-ordered operators, and the solution is then re-arranged into the superposition principle. The inductive proof is simpler than Rostoker's although similar in some ways; it differs in that first-order equations for pair correlation functions need not be invoked. It is pointed out that the superposition principle is also applicable to the short-time theory of neutral fluids
Kinetic Ising model in a time-dependent oscillating external magnetic field: effective-field theory
Deviren, Bayram; Canko, Osman; Keskin, Mustafa
2010-01-01
Recently, Shi et al. [2008 Phys. Lett. A 372 5922] have studied the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field and presented the dynamic phase diagrams by using an effective-field theory (EFT) and a mean-field theory (MFT). The MFT results are in conflict with those of the earlier work of Tomé and de Oliveira, [1990 Phys. Rev. A 41 4251]. We calculate the dynamic phase diagrams and find that our results are similar to those of the earlier work of Tomé and de Oliveira; hence the dynamic phase diagrams calculated by Shi et al. are incomplete within both theories, except the low values of frequencies for the MFT calculation. We also investigate the influence of external field frequency (ω) and static external field amplitude (h 0 ) for both MFT and EFT calculations. We find that the behaviour of the system strongly depends on the values of ω and h 0 . (general)
Rate theory of solvent exchange and kinetics of Li(+) - BF4 (-)/PF6 (-) ion pairs in acetonitrile.
Dang, Liem X; Chang, Tsun-Mei
2016-09-07
In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li(+) and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li(+) in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li(+)-[BF4] and Li(+)-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li(+). We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li(+)-[BF4] and Li(+)-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems.
On the equipartition of kinetic energy in an ideal gas mixture
Peliti, L
2007-01-01
A refinement of an argument due to Maxwell for the equipartition of translational kinetic energy in a mixture of ideal gases with different masses is proposed. The argument is elementary, yet it may work as an illustration of the role of symmetry and independence postulates in kinetic theory
On the Equipartition of Kinetic Energy in an Ideal Gas Mixture
Peliti, L.
2007-01-01
A refinement of an argument due to Maxwell for the equipartition of translational kinetic energy in a mixture of ideal gases with different masses is proposed. The argument is elementary, yet it may work as an illustration of the role of symmetry and independence postulates in kinetic theory. (Contains 1 figure.)
... also produced by human activities. Some, such as industrial gases, are exclusively human made. What are the types ... Carbon dioxide (CO2) Methane (CH4) Nitrous oxide (N2O) Industrial gases: Hydrofluorocarbons (HFCs) Perfluorocarbons (PFCs) Sulfur hexafluoride (SF6 Nitrogen ...
Kinetic Theory of a Confined Quasi-Two-Dimensional Gas of Hard Spheres
J. Javier Brey
2017-02-01
Full Text Available The dynamics of a system of hard spheres enclosed between two parallel plates separated a distance smaller than two particle diameters is described at the level of kinetic theory. The interest focuses on the behavior of the quasi-two-dimensional fluid seen when looking at the system from above or below. In the first part, a collisional model for the effective two-dimensional dynamics is analyzed. Although it is able to describe quite well the homogeneous evolution observed in the experiments, it is shown that it fails to predict the existence of non-equilibrium phase transitions, and in particular, the bimodal regime exhibited by the real system. A critical revision analysis of the model is presented , and as a starting point to get a more accurate description, the Boltzmann equation for the quasi-two-dimensional gas has been derived. In the elastic case, the solutions of the equation verify an H-theorem implying a monotonic tendency to a non-uniform steady state. As an example of application of the kinetic equation, here the evolution equations for the vertical and horizontal temperatures of the system are derived in the homogeneous approximation, and the results compared with molecular dynamics simulation results.
Evaluation of energy collapsing effect on reactor kinetics parameters by diffusion theory
Unesaki, Hironobu
1989-01-01
Reactor kinetics parameters play an important role as scaling factors between observed and calculated reactivities in the analysis of reactor physics experiments. In this report, energy collapsing errors in two kinetic parameters, the effective delayed neutron fraction and the neutron life time, are investigated by means of the diffusion theory. Coarse group calculations are made for various energy group structures. Cores of various moderator-to-fuel volume ratios are selected to investigate the influence of neutron spectrum changes on the energy collapsing error. The energy collapsing errors in the effective delayed neutron fraction and neutron life time are much larger than those in k eff . This might be because the former two parameters are functions of both the foward and adjoint flux, whereas the latter is a function of the forward flux alone. The use of coarse constants will cause errors in both fluxes, and the resulting errors in the former will be much more emphasized. As the effective delayed neutron fraction is sensitive to the treatment of an energy region in the vicinity of the fission spectrum peak, the coarse group error in it might differ between cores with different enrichment and composition. Inaccurate weighting of group constants leads to neutron spectra which do not conserve the fine group spectra, and those errors will be emphasized in calculated integral parameters. (N.K.)
Kinetic theory approach to modeling of cellular repair mechanisms under genome stress.
Jinpeng Qi
Full Text Available Under acute perturbations from outer environment, a normal cell can trigger cellular self-defense mechanism in response to genome stress. To investigate the kinetics of cellular self-repair process at single cell level further, a model of DNA damage generating and repair is proposed under acute Ion Radiation (IR by using mathematical framework of kinetic theory of active particles (KTAP. Firstly, we focus on illustrating the profile of Cellular Repair System (CRS instituted by two sub-populations, each of which is made up of the active particles with different discrete states. Then, we implement the mathematical framework of cellular self-repair mechanism, and illustrate the dynamic processes of Double Strand Breaks (DSBs and Repair Protein (RP generating, DSB-protein complexes (DSBCs synthesizing, and toxins accumulating. Finally, we roughly analyze the capability of cellular self-repair mechanism, cellular activity of transferring DNA damage, and genome stability, especially the different fates of a certain cell before and after the time thresholds of IR perturbations that a cell can tolerate maximally under different IR perturbation circumstances.
Kinetic theory approach to modeling of cellular repair mechanisms under genome stress.
Qi, Jinpeng; Ding, Yongsheng; Zhu, Ying; Wu, Yizhi
2011-01-01
Under acute perturbations from outer environment, a normal cell can trigger cellular self-defense mechanism in response to genome stress. To investigate the kinetics of cellular self-repair process at single cell level further, a model of DNA damage generating and repair is proposed under acute Ion Radiation (IR) by using mathematical framework of kinetic theory of active particles (KTAP). Firstly, we focus on illustrating the profile of Cellular Repair System (CRS) instituted by two sub-populations, each of which is made up of the active particles with different discrete states. Then, we implement the mathematical framework of cellular self-repair mechanism, and illustrate the dynamic processes of Double Strand Breaks (DSBs) and Repair Protein (RP) generating, DSB-protein complexes (DSBCs) synthesizing, and toxins accumulating. Finally, we roughly analyze the capability of cellular self-repair mechanism, cellular activity of transferring DNA damage, and genome stability, especially the different fates of a certain cell before and after the time thresholds of IR perturbations that a cell can tolerate maximally under different IR perturbation circumstances.
Neoclassical kinetic theory near the edge of a diverted tokamak plasma
Solano, E.R.; Hazeltine, R.D.
1993-01-01
In a diverted plasma, the poloidal magnetic field has a strong poloidal variation, approaching zero near the X-point. Typically, neoclassical theory is based on ordering assumptions about the 3 characteristic frequencies present in the problem: streaming, collisions and drift. In a circular geometry, the streaming freuency is constant, while the drift frequency has a sin(θ) variation. In a shaped plasma, the streaming frequency also has a poloidal variation. The ordering is now established by the amplitude of these frequencies. With a model poloidal flux function, the authors solve the drift kinetic equation inside, but near, the separatrix. Both the plateau and collisional regime are considered. Ion rotation rates, and their poloidal variation, are calculated. It is shown that the standard neoclassical rotation predictions still hold, when correctly interpreted. Other neoclassical fluxes are calculated as well
Theory of Kinetics of Registration and Anti-Registration in Lipid Bilayers
Olmsted, Peter; Williamson, John
Lipid bilayer leaflets are often treated as if they are coupled; i.e., that the two leaflets undergo simultaneous transitions between phases, and that domains involve both leaflets together in a registered fashion. We present theory and simulation showing how interleaflet couplings and hydrophobic mismatch can lead to a complex phase diagram with multiple metastable two-phase and three-phase states. Many of these states can be discerned in the experimental literature, and are expected in the early stages of coarsening when domains are sub-micron (and thus perhaps of significance to lipid rafts). We present different kinetic scenarios for transitions between these state, and show how lipid flip flop can surprisingly lead to non-symmetric anti-registered patterns.
Derivation of fluid dynamics from kinetic theory with the 14-moment approximation
Denicol, G.S.; Molnar, E.; Niemi, H.; Rischke, D.H.
2012-01-01
We review the traditional derivation of the fluid-dynamical equations from kinetic theory according to Israel and Stewart. We show that their procedure to close the fluid-dynamical equations of motion is not unique. Their approach contains two approximations, the first being the so-called 14-moment approximation to truncate the single-particle distribution function. The second consists in the choice of equations of motion for the dissipative currents. Israel and Stewart used the second moment of the Boltzmann equation, but this is not the only possible choice. In fact, there are infinitely many moments of the Boltzmann equation which can serve as equations of motion for the dissipative currents. All resulting equations of motion have the same form, but the transport coefficients are different in each case. (orig.)
Theory of First Order Chemical Kinetics at the Critical Point of Solution.
Baird, James K; Lang, Joshua R
2017-10-26
Liquid mixtures, which have a phase diagram exhibiting a miscibility gap ending in a critical point of solution, have been used as solvents for chemical reactions. The reaction rate in the forward direction has often been observed to slow down as a function of temperature in the critical region. Theories based upon the Gibbs free energy of reaction as the driving force for chemical change have been invoked to explain this behavior. With the assumption that the reaction is proceeding under relaxation conditions, these theories expand the free energy in a Taylor series about the position of equilibrium. Since the free energy is zero at equilibrium, the leading term in the Taylor series is proportional to the first derivative of the free energy with respect to the extent of reaction. To analyze the critical behavior of this derivative, the theories exploit the principle of critical point isomorphism, which is thought to govern all critical phenomena. They find that the derivative goes to zero in the critical region, which accounts for the slowing down observed in the reaction rate. As has been pointed out, however, most experimental rate investigations have been carried out under irreversible conditions as opposed to relaxation conditions [Shen et al. J. Phys. Chem. A 2015, 119, 8784-8791]. Below, we consider a reaction governed by first order kinetics and invoke transition state theory to take into account the irreversible conditions. We express the apparent activation energy in terms of thermodynamic derivatives evaluated under standard conditions as well as the pseudoequilibrium conditions associated with the reactant and the activated complex. We show that these derivatives approach infinity in the critical region. The apparent activation energy follows this behavior, and its divergence accounts for the slowing down of the reaction rate.
Schweitzer, J.M.
1998-11-23
Kinetic modelling of petroleum hydrocracking is particularly difficult given the complexity of the feedstocks. There are two distinct classes of kinetics models: lumped empirical models and detailed molecular models. The productivity of lumped empirical models is generally not very accurate, and the number of kinetic parameters increases rapidly with the number of lumps. A promising new methodology is the use of kinetic modelling based on the single events theory. Due to the molecular approach, a finite and limited number of kinetic parameters can describe the kinetic behaviour of the hydrocracking of heavy feedstock. The parameters are independent of the feedstock. However, the available analytical methods are not able to identify the products on the molecular level. This can be accounted for by means of an posteriori lamping technique, which incorporates the detailed knowledge of the elementary step network. Thus, the lumped kinetic parameters are directly calculated from the fundamental kinetic coefficients and the single event model is reduced to a re-lumped molecular model. Until now, the ability of the method to extrapolate to higher carbon numbers had not been demonstrated. In addition, no study had been published for three phase (gas-liquid-solid) systems and a complex feedstock. The objective of this work is to validate the `single events` method using a paraffinic feedstock. First of all, a series of experiments was conducted on a model compound (hexadecane) in order to estimate the fundamental kinetic parameters for acyclic molecules. To validate the single event approach, these estimated kinetic coefficients were used to simulate hydrocracking of a paraffinic mixture ranging from C11 to C18. The simulation results were then compared to the results obtained from the hydrocracking experiments. The comparison allowed to validate the model for acyclic molecules and to demonstrate that the model is applicable to compounds with higher carbon numbers. (author
van Leeuwen, Theo; Djonov, Emilia
2014-01-01
After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images.......After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....
Development of Interactive Learning Media on Kinetic Gas Theory at SMAN 2 Takalar
Yanti, M.; Ihsan, N.; Subaer
2017-02-01
Learning media is the one of the most factor in supporting successfully in the learning process. The purpose of this interactive media is preparing students to improve skills in laboratory practice without need for assistance and are not bound by time and place. The subject of this study was 30 students grade XI IPA SMAN 2 Takalar. This paper discuss about the development of learning media based in theory of gas kinetic. This media designed to assist students in learning independently. This media made using four software, they are Microsoft word, Snagit Editor, Macromedia Flash Player and Lectora. This media are interactive, dynamic and could support the users desires to learn and understand course of gas theory. The development produce followed the four D models. Consisted of definition phase, design phase, development phase and disseminate phase. The results showed 1) the media were valid and reliable, 2) learning tools as well as hardcopy and softcopy which links to website 3) activity learners above 80% and 4) according to the test results, the concept of comprehension of student was improved than before given interactive media.
Shear viscosity of the quark-gluon plasma in a kinetic theory approach
Puglisi, A.; Plumari, S.; Scardina, F.; Greco, V.
2014-01-01
One of the main results of heavy ions collision (HIC) at relativistic energy experiments is the very small shear viscosity to entropy density ratio of the Quark-Gluon Plasma, close to the conjectured lower bound η/s=1/4π for systems in the infinite coupling limit. Transport coefficients like shear viscosity are responsible of non-equilibrium properties of a system: Green-Kubo relations give us an exact expression to compute these coefficients. We compute shear viscosity numerically using Green-Kubo relation in the framework of Kinetic Theory solving the relativistic transport Boltzmann equation in a finite box with periodic boundary conditions. We investigate a system of particles interacting via anisotropic and energy dependent cross-section in the range of temperature of interest for HIC. Green-Kubo results are in agreement with Chapman-Enskog approximation while Relaxation Time approximation can underestimates the viscosity of a factor 2. The correct analytic formula for shear viscosity can be used to develop a transport theory with a fixed η/s and have a comparison with physical observables like elliptic flow
Arshad, Kashif; Poedts, Stefaan; Lazar, Marian
2017-04-01
ring shape morphology of a beam with orbital angular momentum (OAM) is ideal for the observation of solar corona around the sun where the intensity of the beam is minimum at the center, in solar experiments, and Earth's ionosphere. The twisted plasma modes carrying OAM are mostly studied either by the fluid theory or Maxwellian distributed Kinetic Theory. But most of the space plasmas and some laboratory plasmas have non-thermal distributions due to super-thermal population of the plasma particles. Therefore the Kinetic Theory of twisted plasma modes carrying OAM are recently studied using non-thermal (kappa) distribution of the super-thermal particles in the presence of the helical electric field and significant change in the damping rates are observed by tuning appropriate parameters.
Bork, Nicolai Christian; Bonanos, Nikolaos; Rossmeisl, Jan
2011-01-01
A density functional theory investigation of the thermodynamic and kinetic properties of hydrogen–hydrogen defect interactions in the cubic SrTiO3 perovskite is presented. We find a net attraction between two hydrogen atoms with an optimal separation of ∼2.3 Å. The energy gain is ca. 0.33 eV comp...
Schoolderman, A.J.; Suttorp, L.G.
1989-01-01
The long-time behaviour of the longitudinal and the transverse heat conductivity time correlation functions for a magnetized one-component plasma is studied by means of kinetic theory. To that end these correlation functions, which are defined as the inverse Laplace transforms of the dynamic heat
Pomraning, G.C.
1997-05-01
The goal in this research was to continue the development of a comprehensive theory of linear transport/kinetic theory in a stochastic mixture of solids and immiscible fluids. Such a theory should predict the ensemble average and higher moments, such as the variance, of the particle or energy density described by the underlying transport/kinetic equation. The statistics studied correspond to N-state discrete random variables for the interaction coefficients and sources, with N denoting the number of components in the mixture. The mixing statistics considered were Markovian as well as more general statistics. In the absence of time dependence and scattering, the theory is well developed and described exactly by the master (Liouville) equation for Markovian mixing, and by renewal equations for non-Markovian mixing. The intent of this research was to generalize these treatments to include both time dependence and scattering. A further goal of this research was to develop approximate, but simpler, models from any comprehensive theory. In particular, a specific goal was to formulate a renormalized transport/kinetic theory of the usual nonstochastic form, but with effective interaction coefficients and sources to account for the stochastic nature of the problem. In the three and one-half year period of research summarized in this final report, they have made substantial progress in the development of a comprehensive theory of kinetic processes in stochastic mixtures. This progress is summarized in 16 archival journal articles, 7 published proceedings papers, and 2 comprehensive review articles. In addition, 17 oral presentations were made describing these research results
Shirazi, Mahdi; Elliott, Simon D
2014-01-30
To describe the atomic layer deposition (ALD) reactions of HfO2 from Hf(N(CH3)2)4 and H2O, a three-dimensional on-lattice kinetic Monte-Carlo model is developed. In this model, all atomistic reaction pathways in density functional theory (DFT) are implemented as reaction events on the lattice. This contains all steps, from the early stage of adsorption of each ALD precursor, kinetics of the surface protons, interaction between the remaining precursors (steric effect), influence of remaining fragments on adsorption sites (blocking), densification of each ALD precursor, migration of each ALD precursors, and cooperation between the remaining precursors to adsorb H2O (cooperative effect). The essential chemistry of the ALD reactions depends on the local environment at the surface. The coordination number and a neighbor list are used to implement the dependencies. The validity and necessity of the proposed reaction pathways are statistically established at the mesoscale. The formation of one monolayer of precursor fragments is shown at the end of the metal pulse. Adsorption and dissociation of the H2O precursor onto that layer is described, leading to the delivery of oxygen and protons to the surface during the H2O pulse. Through these processes, the remaining precursor fragments desorb from the surface, leaving the surface with bulk-like and OH-terminated HfO2, ready for the next cycle. The migration of the low coordinated remaining precursor fragments is also proposed. This process introduces a slow reordering motion (crawling) at the mesoscale, leading to the smooth and conformal thin film that is characteristic of ALD. Copyright © 2013 Wiley Periodicals, Inc.
Calzetta, E.; Habib, S.; Hu, B.L.
1988-01-01
We consider quantum fields in an external potential and show how, by using the Fourier transform on propagators, one can obtain the mass-shell constraint conditions and the Liouville-Vlasov equation for the Wigner distribution function. We then consider the Hadamard function G 1 (x 1 ,x 2 ) of a real, free, scalar field in curved space. We postulate a form for the Fourier transform F/sup (//sup Q//sup )/(X,k) of the propagator with respect to the difference variable x = x 1 -x 2 on a Riemann normal coordinate centered at Q. We show that F/sup (//sup Q//sup )/ is the result of applying a certain Q-dependent operator on a covariant Wigner function F. We derive from the wave equations for G 1 a covariant equation for the distribution function and show its consistency. We seek solutions to the set of Liouville-Vlasov equations for the vacuum and nonvacuum cases up to the third adiabatic order. Finally we apply this method to calculate the Hadamard function in the Einstein universe. We show that the covariant Wigner function can incorporate certain relevant global properties of the background spacetime. Covariant Wigner functions and Liouville-Vlasov equations are also derived for free fermions in curved spacetime. The method presented here can serve as a basis for constructing quantum kinetic theories in curved spacetime or for near-uniform systems under quasiequilibrium conditions. It can also be useful to the development of a transport theory of quantum fields for the investigation of grand unification and post-Planckian quantum processes in the early Universe
Validation of the kinetic-turbulent-neoclassical theory for edge intrinsic rotation in DIII-D
Ashourvan, Arash; Grierson, B. A.; Battaglia, D. J.; Haskey, S. R.; Stoltzfus-Dueck, T.
2018-05-01
In a recent kinetic model of edge main-ion (deuterium) toroidal velocity, intrinsic rotation results from neoclassical orbits in an inhomogeneous turbulent field [T. Stoltzfus-Dueck, Phys. Rev. Lett. 108, 065002 (2012)]. This model predicts a value for the toroidal velocity that is co-current for a typical inboard X-point plasma at the core-edge boundary (ρ ˜ 0.9). Using this model, the velocity prediction is tested on the DIII-D tokamak for a database of L-mode and H-mode plasmas with nominally low neutral beam torque, including both signs of plasma current. Values for the flux-surface-averaged main-ion rotation velocity in the database are obtained from the impurity carbon rotation by analytically calculating the main-ion—impurity neoclassical offset. The deuterium rotation obtained in this manner has been validated by direct main-ion measurements for a limited number of cases. Key theoretical parameters of ion temperature and turbulent scale length are varied across a wide range in an experimental database of discharges. Using a characteristic electron temperature scale length as a proxy for a turbulent scale length, the predicted main-ion rotation velocity has a general agreement with the experimental measurements for neutral beam injection (NBI) powers in the range PNBI balanced—but high powered—NBI, the net injected torque through the edge can exceed 1 Nm in the counter-current direction. The theory model has been extended to compute the rotation degradation from this counter-current NBI torque by solving a reduced momentum evolution equation for the edge and found the revised velocity prediction to be in agreement with experiment. Using the theory modeled—and now tested—velocity to predict the bulk plasma rotation opens up a path to more confidently projecting the confinement and stability in ITER.
Kinetic theory of situated agents applied to pedestrian flow in a corridor
Rangel-Huerta, A.; Muñoz-Meléndez, A.
2010-03-01
A situated agent-based model for simulation of pedestrian flow in a corridor is presented. In this model, pedestrians choose their paths freely and make decisions based on local criteria for solving collision conflicts. The crowd consists of multiple walking agents equipped with a function of perception as well as a competitive rule-based strategy that enables pedestrians to reach free access areas. Pedestrians in our model are autonomous entities capable of perceiving and making decisions. They apply socially accepted conventions, such as avoidance rules, as well as individual preferences such as the use of specific exit points, or the execution of eventual comfort turns resulting in spontaneous changes of walking speed. Periodic boundary conditions were considered in order to determine the density-average walking speed, and the density-average activity with respect to specific parameters: comfort angle turn and frequency of angle turn of walking agents. The main contribution of this work is an agent-based model where each pedestrian is represented as an autonomous agent. At the same time the pedestrian crowd dynamics is framed by the kinetic theory of biological systems.
Theory and procedures for finding a correct kinetic model for the bacteriorhodopsin photocycle.
Hendler, R W; Shrager, R; Bose, S
2001-04-26
In this paper, we present the implementation and results of new methodology based on linear algebra. The theory behind these methods is covered in detail in the Supporting Information, available electronically (Shragerand Hendler). In brief, the methods presented search through all possible forward sequential submodels in order to find candidates that can be used to construct a complete model for the BR-photocycle. The methodology is limited only to forward sequential models. If no such models are compatible with the experimental data,none will be found. The procedures apply objective tests and filters to eliminate possibilities that cannot be correct, thus cutting the total number of candidate sequences to be considered. In the current application,which uses six exponentials, the total sequences were cut from 1950 to 49. The remaining sequences were further screened using known experimental criteria. The approach led to a solution which consists of a pair of sequences, one with 5 exponentials showing BR* f L(f) M(f) N O BR and the other with three exponentials showing BR* L(s) M(s) BR. The deduced complete kinetic model for the BR photocycle is thus either a single photocycle branched at the L intermediate or a pair of two parallel photocycles. Reasons for preferring the parallel photocycles are presented. Synthetic data constructed on the basis of the parallel photocycles were indistinguishable from the experimental data in a number of analytical tests that were applied.
A kinetic theory for nonanalog Monte Carlo algorithms: Exponential transform with angular biasing
Ueki, T.; Larsen, E.W.
1998-01-01
A new Boltzmann Monte Carlo (BMC) equation is proposed to describe the transport of Monte Carlo particles governed by a set of nonanalog rules for the transition of space, velocity, and weight. The BMC equation is a kinetic equation that includes weight as an extra independent variable. The solution of the BMC equation is the pointwise distribution of velocity and weight throughout the physical system. The BMC equation is derived for the simulation of a transmitted current, utilizing the exponential transform with angular biasing. The weight moments of the solution of the BMC equation are used to predict the score moments of the transmission current. (Also, it is shown that an adjoint BMC equation can be used for this purpose.) Integrating the solution of the forward BMC equation over space, velocity, and weight, the mean number of flights per history is obtained. This is used to determine theoretically the figure of merit for any choice of biasing parameters. Also, a maximum safe value of the exponential transform parameter is proposed, which ensure the finite variance of variance estimate (sample variance) for any penetration distance. Finally, numerical results that validate the new theory are provided
Nourhani, Amir; Crespi, Vincent H.; Lammert, Paul E.
2015-06-01
We present a self-consistent nonlocal feedback theory for the phoretic propulsion mechanisms of electrocatalytic micromotors or nanomotors. These swimmers, such as bimetallic platinum and gold rods catalyzing decomposition of hydrogen peroxide in aqueous solution, have received considerable theoretical attention. In contrast, the heterogeneous electrochemical processes with nonlocal feedback that are the actual "engines" of such motors are relatively neglected. We present a flexible approach to these processes using bias potential as a control parameter field and a locally-open-circuit reference state, carried through in detail for a spherical motor. While the phenomenological flavor makes meaningful contact with experiment easier, required inputs can also conceivably come from, e.g., Frumkin-Butler-Volmer kinetics. Previously obtained results are recovered in the weak-heterogeneity limit and improved small-basis approximations tailored to structural heterogeneity are presented. Under the assumption of weak inhomogeneity, a scaling form is deduced for motor speed as a function of fuel concentration and swimmer size. We argue that this form should be robust and demonstrate a good fit to experimental data.
Berger, Christian; Bucher, Edith; Windischbacher, Andreas; Boese, A. Daniel; Sitte, Werner
2018-03-01
The Sr-free mixed ionic electronic conducting perovskites La0.8Ca0.2FeO3-δ (LCF82) and Pr0.8Ca0.2FeO3-δ (PCF82) were synthesized via a glycine-nitrate process. Crystal structure, phase purity, and lattice constants were determined by XRD and Rietveld analysis. The oxygen exchange kinetics and the electronic conductivity were obtained from in-situ dc-conductivity relaxation experiments at 600-800 °C and 1×10-3≤pO2/bar≤0.1. Both LCF82 and PCF82 show exceptionally fast chemical surface exchange coefficients and chemical diffusion coefficients of oxygen. The oxygen nonstochiometry of LCF82 and PCF82 was determined by precision thermogravimetry. A point defect model was used to calculate the thermodynamic factors of oxygen and to estimate self-diffusion coefficients and ionic conductivities. Density Functional Theory (DFT) calculations on the crystal structure, oxygen vacancy formation as well as oxygen migration energies are in excellent agreement with the experimental values. Due to their favourable properties both LCF82 and PCF82 are of interest for applications in solid oxide fuel cell cathodes, solid oxide electrolyser cell anodes, oxygen separation membranes, catalysts, or electrochemical sensors.
Transport coefficients of Quark-Gluon Plasma in a Kinetic Theory approach
Puglisi, A; Plumari, S; Scardina, F; Greco, V
2014-01-01
One of the main results of heavy ions collision at relativistic energy experiments is the very small shear viscosity to entropy density ratio of the Quark-Gluon Plasma, close to the conjectured lower bound η/s = 1/4π for systems in the infinite coupling limit. Transport coefficients like shear viscosity are responsible of non-equilibrium properties of a system: Green- Kubo relations give us an exact expression to compute these coefficients. We computed shear viscosity numerically using Green-Kubo relation in the framework of Kinetic Theory solving the relativistic transport Boltzmann equation in a finite box with periodic boundary conditions. We investigated different cases of particles, for one component system (gluon matter), interacting via isotropic or anisotropic cross-section in the range of temperature of interest for HIC. Green-Kubo results are in agreement with Chapman-Enskog approximation while Relaxation Time approximation can underestimates the viscosity of a factor 2. Another transport coefficient of interest is the electric conductivity σ el which determines the response of QGP to the electromagnetic fields present in the early stage of the collision. We study the σ el dependence on microscopic details of interaction and we find also in this case that Relaxation Time Approximation is a good approximation only for isotropic cross-section.
TASK, 1-D Multigroup Diffusion or Transport Theory Reactor Kinetics with Delayed Neutron
Buhl, A.R.; Hermann, O.W.; Hinton, R.J.; Dodds, H.L. Jr.; Robinson, J.C.; Lillie, R.A.
1975-01-01
1 - Description of problem or function: TASK solves the one-dimensional multigroup form of the reactor kinetics equations, using either transport or diffusion theory and allowing an arbitrary number of delayed neutron groups. The program can also be used to solve standard static problems efficiently such as eigenvalue problems, distributed source problems, and boundary source problems. Convergence problems associated with sources in highly multiplicative media are circumvented, and such problems are readily calculable. 2 - Method of solution: TASK employs a combination scattering and transfer matrix method to eliminate certain difficulties that arise in classical finite difference approximations. As such, within-group (inner) iterations are eliminated and solution convergence is independent of spatial mesh size. The time variable is removed by Laplace transformation. (A later version will permit direct time solutions.) The code can be run either in an outer iteration mode or in closed (non-iterative) form. The running mode is dictated by the number of groups times the number of angles, consistent with available storage. 3 - Restrictions on the complexity of the problem: The principal restrictions are available storage and computation time. Since the code is flexibly-dimensioned and has an outer iteration option there are no internal restrictions on group structure, quadrature, and number of ordinates. The flexible-dimensioning scheme allows optional use of core storage. The generalized cylindrical geometry option is not complete in Version I of the code. The feedback options and omega-mode search options are not included in Version I
Zhang, Hong-ping; Luo, Xue-gang; Lin, Xiao-yang; Lu, Xiong; Leng, Yang; Song, Hong-tao
2013-01-01
Understanding the interaction mechanisms of CO, NO, SO 2 , and HCHO with graphene are important in developing graphene-based sensors for gas detection and removal. In this study, the effects of doped Ti or N atom on the interaction of these gases with graphene were investigated by density functional theory calculations. Analyses of adsorption energy, electron density difference, and density of states indicated that the doped Ti atom could greatly improve the interaction of gas molecules with graphene. The Ti-doped graphene sheet demonstrated selective gas absorption. The order of interaction between the gas molecules and the Ti-doped graphene sheet was as follows: SO 2 > NO > HCHO > CO. By contrast, the N-doped graphene sheet did not exhibit apparent selective gas absorption. These results imply that the Ti-doped graphene sheet is more effective than the N-doped graphene sheet in detecting and removing gas molecules because of its high selectivity.
Zhang, Hong-ping, E-mail: zhp1006@126.com [Engineering Research Center of Biomass Materials, Ministry of Education, School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang, Sichuan 621010 (China); Luo, Xue-gang, E-mail: lxg@swust.edu.cn [Engineering Research Center of Biomass Materials, Ministry of Education, School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang, Sichuan 621010 (China); Lin, Xiao-yang, E-mail: xylin-2004@163.com [Engineering Research Center of Biomass Materials, Ministry of Education, School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang, Sichuan 621010 (China); Lu, Xiong, E-mail: luxiong_2004@163.com [Key Laboratory of Advanced Technologies of Materials, Ministry of Education, School of Materials Science and Engineering, Southwest Jiaotong University, Chengdu 610031, Sichuan (China); Leng, Yang, E-mail: meleng@ust.hk [Department of Mechanical Engineering, Hong Kong University of Science and Technology, Kowloon, Hong Kong (China); Song, Hong-tao, E-mail: yinyishushengsht@163.com [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 (China)
2013-10-15
Understanding the interaction mechanisms of CO, NO, SO{sub 2}, and HCHO with graphene are important in developing graphene-based sensors for gas detection and removal. In this study, the effects of doped Ti or N atom on the interaction of these gases with graphene were investigated by density functional theory calculations. Analyses of adsorption energy, electron density difference, and density of states indicated that the doped Ti atom could greatly improve the interaction of gas molecules with graphene. The Ti-doped graphene sheet demonstrated selective gas absorption. The order of interaction between the gas molecules and the Ti-doped graphene sheet was as follows: SO{sub 2} > NO > HCHO > CO. By contrast, the N-doped graphene sheet did not exhibit apparent selective gas absorption. These results imply that the Ti-doped graphene sheet is more effective than the N-doped graphene sheet in detecting and removing gas molecules because of its high selectivity.
Fundamentals of charged particle transport in gases and condensed matter
Robson, Robert E; Hildebrandt, Malte
2018-01-01
This book offers a comprehensive and cohesive overview of transport processes associated with all kinds of charged particles, including electrons, ions, positrons, and muons, in both gases and condensed matter. The emphasis is on fundamental physics, linking experiment, theory and applications. In particular, the authors discuss: The kinetic theory of gases, from the traditional Boltzmann equation to modern generalizations A complementary approach: Maxwell’s equations of change and fluid modeling Calculation of ion-atom scattering cross sections Extension to soft condensed matter, amorphous materials Applications: drift tube experiments, including the Franck-Hertz experiment, modeling plasma processing devices, muon catalysed fusion, positron emission tomography, gaseous radiation detectors Straightforward, physically-based arguments are used wherever possible to complement mathematical rigor.
Meulenbelt, J
Acute inhalation injury can result from the use of household cleaning agents (e.g. chlorine, ammonia), industrial or combustion gases (e.g. sulfur dioxide, nitrogen oxides) or bioterrorism. The severity of the injury is to a great extent determined by the circumstances of exposure. If exposure was
Theory of homogeneous condensation from small nuclei. I. Modified Mayer theory of physical clusters
Lockett, A.M. III
1980-01-01
A theory of physical clusters is developed within the framework of the Theory of Imperfect Gases. Physical monomers and clusters are redefined diagrammatically thereby removing the unphysical nature of the usual Mayer clusters while retaining essentially all of the desirable features of the Mayer theory. The resulting formulation is simple, unambiguous, and well suited for incorporation into a kinetic theory of condensation which is computationally tractable
Lifschitz, E.M.; Pitajewski, L.P.
1983-01-01
The textbook covers the subject under the following headings: kinetic gas theory, diffusion approximation, collisionless plasma, collisions within the plasma, plasma in the magnetic field, theory of instabilities, dielectrics, quantum fluids, metals, diagram technique for nonequilibrium systems, superconductors, and kinetics of phase transformations
Ren, Jie
2017-12-01
The process by which a kinesin motor couples its ATPase activity with concerted mechanical hand-over-hand steps is a foremost topic of molecular motor physics. Two major routes toward elucidating kinesin mechanisms are the motility performance characterization of velocity and run length, and single-molecular state detection experiments. However, these two sets of experimental approaches are largely uncoupled to date. Here, we introduce an integrative motility state analysis based on a theorized kinetic graph theory for kinesin, which, on one hand, is validated by a wealth of accumulated motility data, and, on the other hand, allows for rigorous quantification of state occurrences and chemomechanical cycling probabilities. An interesting linear scaling for kinesin motility performance across species is discussed as well. An integrative kinetic graph theory analysis provides a powerful tool to bridge motility and state characterization experiments, so as to forge a unified effort for the elucidation of the working mechanisms of molecular motors.
Han, Cheng; Hou, De-fu; Li, Jia-rong [Central China Normal University, Key Laboratory of Quark and Lepton Physics (MOE) and Institute of Particle Physics, Wuhan, Hubei (China); Jiang, Bing-feng [Hubei University for Nationalities, Center for Theoretical Physics and School of Sciences, Enshi, Hubei (China)
2017-10-15
The dielectric functions ε{sub L}, ε{sub T} of the quark-gluon plasma (QGP) are derived within the framework of the kinetic theory with BGK-type collisional kernel. The collision effect manifested by the collision rate is encoded in the dielectric functions. Based on the derived dielectric functions we study the collisional energy loss suffered by a fast parton traveling through the QGP. The numerical results show that the collision rate increases the energy loss. (orig.)
Vescovi, Dalila; Berzi, Diego; Richard, Patrick; Brodu, Nicolas
2014-01-01
International audience; We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different values of the collisional coefficient of restitution. Then, we perform 3D Discrete Element simulations of plane flows of frictionless, inelastic spheres, sheared between walls made bumpy by gluing particles in a regular array, at fixed av...
Liechty, Derek S.; Lewis, Mark J.
2010-01-01
Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties (i.e., no macroscopic reaction rate information) are extended to include reactions involving charged particles and electronic energy levels. The proposed extensions include ionization reactions, exothermic associative ionization reactions, endothermic and exothermic charge exchange reactions, and other exchange reactions involving ionized species. The extensions are shown to agree favorably with the measured Arrhenius rates for near-equilibrium conditions.
Strongly interacting Fermi gases
Bakr W.
2013-08-01
Full Text Available Strongly interacting gases of ultracold fermions have become an amazingly rich test-bed for many-body theories of fermionic matter. Here we present our recent experiments on these systems. Firstly, we discuss high-precision measurements on the thermodynamics of a strongly interacting Fermi gas across the superfluid transition. The onset of superfluidity is directly observed in the compressibility, the chemical potential, the entropy, and the heat capacity. Our measurements provide benchmarks for current many-body theories on strongly interacting fermions. Secondly, we have studied the evolution of fermion pairing from three to two dimensions in these gases, relating to the physics of layered superconductors. In the presence of p-wave interactions, Fermi gases are predicted to display toplogical superfluidity carrying Majorana edge states. Two possible avenues in this direction are discussed, our creation and direct observation of spin-orbit coupling in Fermi gases and the creation of fermionic molecules of 23Na 40K that will feature strong dipolar interactions in their absolute ground state.
Biglari, H.; Chen, L.
1991-10-01
A complete theory of wave-particle interactions is presented whereby both circulating and trapped energetic ions can destabilize kinetic ballooning modes in tokamaks. Four qualitatively different types of resonances, involving wave-precessional drift, wave-transit, wave-bounce, and precessional drift-bounce interactions, are identified, and the destabilization potential of each is assessed. For a characteristic slowing-down distribution function, the dominant interaction is that which taps those resonant ions with the highest energy. Implications of the theory for present and future generation fusion experiments are discussed. 16 refs
Design and optimization of a Holweck pump via linear kinetic theory
Naris, Steryios; Koutandou, Eirini; Valougeorgis, Dimitris
2012-05-01
The Holweck pump is widely used in the vacuum pumping industry. It can be a self standing apparatus or it can be part of a more advanced pumping system. It is composed by an inner rotating cylinder (rotor) and an outer stationary cylinder (stator). One of them, has spiral guided grooves resulting to a gas motion from the high towards the low vacuum port. Vacuum pumps may be simulated by the DSMC method but due to the involved high computational cost in many cases manufactures commonly resort to empirical formulas and experimental data. Recently a computationally efficient simulation of the Holweck pump via linear kinetic theory has been proposed by Sharipov et al [1]. Neglecting curvature and end effects the gas flow configuration through the helicoidal channels is decomposed into four basic flows. They correspond to pressure and boundary driven flows through a grooved channel and through a long channel with a T shape cross section. Although the formulation and the methodology are explained in detail, results are very limited and more important they are presented in a normalized way which does not provide the needed information about the pump performance in terms of the involved geometrical and flow parameters. In the present work the four basic flows are solved numerically based on the linearized BGK model equation subjected to diffuse boundary conditions. The results obtained are combined in order to create a database of the flow characteristics for a large spectrum of the rarefaction parameter and various geometrical configurations. Based on this database the performance characteristics which are critical in the design of the Holweck pump are computed and the design parameters such as the angle of the pump and the rotational speed, are optimized. This modeling may be extended to other vacuum pumps.
Design and optimization of a Holweck pump via linear kinetic theory
Naris, Steryios; Koutandou, Eirini; Valougeorgis, Dimitris
2012-01-01
The Holweck pump is widely used in the vacuum pumping industry. It can be a self standing apparatus or it can be part of a more advanced pumping system. It is composed by an inner rotating cylinder (rotor) and an outer stationary cylinder (stator). One of them, has spiral guided grooves resulting to a gas motion from the high towards the low vacuum port. Vacuum pumps may be simulated by the DSMC method but due to the involved high computational cost in many cases manufactures commonly resort to empirical formulas and experimental data. Recently a computationally efficient simulation of the Holweck pump via linear kinetic theory has been proposed by Sharipov et al [1]. Neglecting curvature and end effects the gas flow configuration through the helicoidal channels is decomposed into four basic flows. They correspond to pressure and boundary driven flows through a grooved channel and through a long channel with a T shape cross section. Although the formulation and the methodology are explained in detail, results are very limited and more important they are presented in a normalized way which does not provide the needed information about the pump performance in terms of the involved geometrical and flow parameters. In the present work the four basic flows are solved numerically based on the linearized BGK model equation subjected to diffuse boundary conditions. The results obtained are combined in order to create a database of the flow characteristics for a large spectrum of the rarefaction parameter and various geometrical configurations. Based on this database the performance characteristics which are critical in the design of the Holweck pump are computed and the design parameters such as the angle of the pump and the rotational speed, are optimized. This modeling may be extended to other vacuum pumps.
Coagulation kinetics beyond mean field theory using an optimised Poisson representation
Burnett, James [Department of Mathematics, UCL, Gower Street, London WC1E 6BT (United Kingdom); Ford, Ian J. [Department of Physics and Astronomy, UCL, Gower Street, London WC1E 6BT (United Kingdom)
2015-05-21
Binary particle coagulation can be modelled as the repeated random process of the combination of two particles to form a third. The kinetics may be represented by population rate equations based on a mean field assumption, according to which the rate of aggregation is taken to be proportional to the product of the mean populations of the two participants, but this can be a poor approximation when the mean populations are small. However, using the Poisson representation, it is possible to derive a set of rate equations that go beyond mean field theory, describing pseudo-populations that are continuous, noisy, and complex, but where averaging over the noise and initial conditions gives the mean of the physical population. Such an approach is explored for the simple case of a size-independent rate of coagulation between particles. Analytical results are compared with numerical computations and with results derived by other means. In the numerical work, we encounter instabilities that can be eliminated using a suitable “gauge” transformation of the problem [P. D. Drummond, Eur. Phys. J. B 38, 617 (2004)] which we show to be equivalent to the application of the Cameron-Martin-Girsanov formula describing a shift in a probability measure. The cost of such a procedure is to introduce additional statistical noise into the numerical results, but we identify an optimised gauge transformation where this difficulty is minimal for the main properties of interest. For more complicated systems, such an approach is likely to be computationally cheaper than Monte Carlo simulation.
Vescovi, D.; Berzi, D.; Richard, P.; Brodu, N.
2014-05-01
We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different values of the collisional coefficient of restitution. Then, we perform 3D Discrete Element simulations of plane flows of frictionless, inelastic spheres, sheared between walls made bumpy by gluing particles in a regular array, at fixed average volume fraction and distance between the walls. The results of the numerical simulations are used to derive boundary conditions appropriated in the cases of large and small bumpiness. Those boundary conditions are, then, employed to numerically integrate the differential equations of Extended Kinetic Theory, where the breaking of the molecular chaos assumption at volume fraction larger than 0.49 is taken into account in the expression of the dissipation rate. We show that the Extended Kinetic Theory is in very good agreement with the numerical simulations, even for coefficients of restitution as low as 0.50. When the bumpiness is increased, we observe that some of the flowing particles are stuck in the gaps between the wall spheres. As a consequence, the walls are more dissipative than expected, and the flows resemble simple shear flows, i.e., flows of rather constant volume fraction and granular temperature.
Vescovi, D.; Berzi, D.; Richard, P.; Brodu, N.
2014-01-01
We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different values of the collisional coefficient of restitution. Then, we perform 3D Discrete Element simulations of plane flows of frictionless, inelastic spheres, sheared between walls made bumpy by gluing particles in a regular array, at fixed average volume fraction and distance between the walls. The results of the numerical simulations are used to derive boundary conditions appropriated in the cases of large and small bumpiness. Those boundary conditions are, then, employed to numerically integrate the differential equations of Extended Kinetic Theory, where the breaking of the molecular chaos assumption at volume fraction larger than 0.49 is taken into account in the expression of the dissipation rate. We show that the Extended Kinetic Theory is in very good agreement with the numerical simulations, even for coefficients of restitution as low as 0.50. When the bumpiness is increased, we observe that some of the flowing particles are stuck in the gaps between the wall spheres. As a consequence, the walls are more dissipative than expected, and the flows resemble simple shear flows, i.e., flows of rather constant volume fraction and granular temperature
Nichols, B.D.; Mueller, C.; Necker, G.A.; Travis, J.R.; Spore, J.W.; Lam, K.L.; Royl, P.; Redlinger, R.; Wilson, T.L.
1998-01-01
Los Alamos National Laboratory (LANL) and Forschungszentrum Karlsruhe (FzK) are developing GASFLOW, a three-dimensional (3D) fluid dynamics field code as a best-estimate tool to characterize local phenomena within a flow field. Examples of 3D phenomena include circulation patterns; flow stratification; hydrogen distribution mixing and stratification; combustion and flame propagation; effects of noncondensable gas distribution on local condensation and evaporation; and aerosol entrainment, transport, and deposition. An analysis with GASFLOW will result in a prediction of the gas composition and discrete particle distribution in space and time throughout the facility and the resulting pressure and temperature loadings on the walls and internal structures with or without combustion. A major application of GASFLOW is for predicting the transport, mixing, and combustion of hydrogen and other gases in nuclear reactor containments and other facilities. It has been applied to situations involving transporting and distributing combustible gas mixtures. It has been used to study gas dynamic behavior (1) in low-speed, buoyancy-driven flows, as well as sonic flows or diffusion dominated flows; and (2) during chemically reacting flows, including deflagrations. The effects of controlling such mixtures by safety systems can be analyzed. The code version described in this manual is designated GASFLOW 2.1, which combines previous versions of the United States Nuclear Regulatory Commission code HMS (for Hydrogen Mixing Studies) and the Department of Energy and FzK versions of GASFLOW. The code was written in standard Fortran 90. This manual comprises three volumes. Volume I describes the governing physical equations and computational model. Volume II describes how to use the code to set up a model geometry, specify gas species and material properties, define initial and boundary conditions, and specify different outputs, especially graphical displays. Sample problems are included
Hunter, D.; Jackson, D.; Coeyman, M.
1993-01-01
Industrial gas companies have fought hard to boost sales and hold margins in the tough economic climate, and investments are well down from their 1989-'91 peak. But 'our industry is still very strong long term' says Alain Joly, CEO of industry leader L'Air Liquide (AL). By 1994, if a European and Japanese recovery follows through on one in the U.S., 'we could see major [investment] commitments starting again,' he says. 'Noncryogenic production technology is lowering the cost of gas-making possible new applications, oxygen is getting plenty of attention in the environmental area, and hydrogen also fits into the environmental thrust,' says Bob Lovett, executive v.p./gases and equipment with Air Products ampersand Chemicals (AP). Through the 1990's, 'Industrial gases could grow even faster than in the past decade,' he says. Virtually a new generation of new gases applications should become reality by the mid-1990s, says John Campbell, of industry consultants J.R. Campbell ampersand Associates (Lexington, MA). Big new oxygen volumes will be required for powder coal injection in blast furnaces-boosting a steel mill's requirement as much as 40% and coal gasification/combined cycle (CGCC). Increased oil refinery hydroprocessing needs promise hydrogen requirements
Podosek, F. A.
2003-12-01
The noble gases are the group of elements - helium, neon, argon, krypton, xenon - in the rightmost column of the periodic table of the elements, those which have "filled" outermost shells of electrons (two for helium, eight for the others). This configuration of electrons results in a neutral atom that has relatively low electron affinity and relatively high ionization energy. In consequence, in most natural circumstances these elements do not form chemical compounds, whence they are called "noble." Similarly, much more so than other elements in most circumstances, they partition strongly into a gas phase (as monatomic gas), so that they are called the "noble gases" (also, "inert gases"). (It should be noted, of course, that there is a sixth noble gas, radon, but all isotopes of radon are radioactive, with maximum half-life a few days, so that radon occurs in nature only because of recent production in the U-Th decay chains. The factors that govern the distribution of radon isotopes are thus quite different from those for the five gases cited. There are interesting stories about radon, but they are very different from those about the first five noble gases, and are thus outside the scope of this chapter.)In the nuclear fires in which the elements are forged, the creation and destruction of a given nuclear species depends on its nuclear properties, not on whether it will have a filled outermost shell when things cool off and nuclei begin to gather electrons. The numerology of nuclear physics is different from that of chemistry, so that in the cosmos at large there is nothing systematically special about the abundances of the noble gases as compared to other elements. We live in a very nonrepresentative part of the cosmos, however. As is discussed elsewhere in this volume, the outstanding generalization about the geo-/cosmochemistry of the terrestrial planets is that at some point thermodynamic conditions dictated phase separation of solids from gases, and that the
Reactor theory and power reactors. 1. Calculational methods for reactors. 2. Reactor kinetics
Henry, A.F.
1980-01-01
Various methods for calculation of neutron flux in power reactors are discussed. Some mathematical models used to describe transients in nuclear reactors and techniques for the reactor kinetics' relevant equations solution are also presented
Kinetic approach to relativistic dissipation
Gabbana, A.; Mendoza, M.; Succi, S.; Tripiccione, R.
2017-08-01
Despite a long record of intense effort, the basic mechanisms by which dissipation emerges from the microscopic dynamics of a relativistic fluid still elude complete understanding. In particular, several details must still be finalized in the pathway from kinetic theory to hydrodynamics mainly in the derivation of the values of the transport coefficients. In this paper, we approach the problem by matching data from lattice-kinetic simulations with analytical predictions. Our numerical results provide neat evidence in favor of the Chapman-Enskog [The Mathematical Theory of Non-Uniform Gases, 3rd ed. (Cambridge University Press, Cambridge, U.K., 1970)] procedure as suggested by recent theoretical analyses along with qualitative hints at the basic reasons why the Chapman-Enskog expansion might be better suited than Grad's method [Commun. Pure Appl. Math. 2, 331 (1949), 10.1002/cpa.3160020403] to capture the emergence of dissipative effects in relativistic fluids.
Ancilotto, Francesco; Rossini, Davide; Pilati, Sebastiano
2018-04-01
The dynamics of a one-dimensional two-component Fermi gas in the presence of a quasiperiodic optical lattice (OL) is investigated by means of a density functional theory approach. Inspired by the protocol implemented in recent cold-atom experiments—designed to identify the many-body localization transition—we analyze the relaxation of an initially prepared imbalance between the occupation number of odd and of even sites. For quasidisorder strength beyond the Anderson localization transition, the imbalance survives for long times, indicating the inability of the system to reach local equilibrium. The late-time value of the imbalance diminishes for increasing interaction strength. Close to the critical quasidisorder strength corresponding to the noninteracting (Anderson) transition, the interacting system displays an extremely slow relaxation dynamics, consistent with subdiffusive behavior. The amplitude of the imbalance fluctuations around its running average is found to decrease with time, and such damping is more effective with increasing interaction strengths. While our study addresses the setup with two equally intense OLs, very similar effects due to interactions have been observed also in recent cold-atom experiments performed in the tight-binding regime, i.e., where one of the two OLs is very deep and the other is much weaker.
Abril, J.M.
1998-01-01
Recently much experimental effort has been focused on determining those factors which affect the kinetics and the final equilibrium conditions for the uptake of radionuclides from the aqueous phase by particulate matter. At present, some of these results appear to be either surprising or contradictory and introduce some uncertainty in which parameter values are most appropriate for environmental modelling. In this paper, we study the ionic exchange between the dissolved phase and suspended particles from a microscopic viewpoint, developing a mathematical description of the kinetic transfer and the k d distribution coefficients. The most relevant contribution is the assumption that the exchange of radionuclides occurs in a specific surface layer on the particles, with a non-zero thickness. A wide range of experimental findings can be explained with this theory. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)
Zhou, Chi-Chun; Dai, Wu-Sheng
2018-02-01
In statistical mechanics, for a system with a fixed number of particles, e.g. a finite-size system, strictly speaking, the thermodynamic quantity needs to be calculated in the canonical ensemble. Nevertheless, the calculation of the canonical partition function is difficult. In this paper, based on the mathematical theory of the symmetric function, we suggest a method for the calculation of the canonical partition function of ideal quantum gases, including ideal Bose, Fermi, and Gentile gases. Moreover, we express the canonical partition functions of interacting classical and quantum gases given by the classical and quantum cluster expansion methods in terms of the Bell polynomial in mathematics. The virial coefficients of ideal Bose, Fermi, and Gentile gases are calculated from the exact canonical partition function. The virial coefficients of interacting classical and quantum gases are calculated from the canonical partition function by using the expansion of the Bell polynomial, rather than calculated from the grand canonical potential.
Hebenstreit, F.; Alkofer, R.; Gies, H.
2010-01-01
The nonperturbative electron-positron pair production (Schwinger effect) is considered for space- and time-dependent electric fields E-vector(x-vector,t). Based on the Dirac-Heisenberg-Wigner formalism, we derive a system of partial differential equations of infinite order for the 16 irreducible components of the Wigner function. In the limit of spatially homogeneous fields the Vlasov equation of quantum kinetic theory is rediscovered. It is shown that the quantum kinetic formalism can be exactly solved in the case of a constant electric field E(t)=E 0 and the Sauter-type electric field E(t)=E 0 sech 2 (t/τ). These analytic solutions translate into corresponding expressions within the Dirac-Heisenberg-Wigner formalism and allow to discuss the effect of higher derivatives. We observe that spatial field variations typically exert a strong influence on the components of the Wigner function for large momenta or for late times.
Jehn, H.; Fromm, E.; Hoerz, G.
1978-01-01
This issue is part of a series of data on 'gases and carbon in metals'. The present survey includes results from papers dealing with gases and carbon in actinides and recommends critically selected data for each element. Firstly data od binary systems are presented, starting with hydrogen and followed by carbon, nitrogen, oxygen, and rare gases. Within one metal-metalloid system the data are listed under topics such as solubility limit, dissociation pressure of compunds, vapour pressure of volatile oxides, thermodynamic data, diffusion, transport parameters (effective valence, heat of transport), permeation of gases through metals, gas adsorption and gas desorption kinetics, compound formation, precipitation kinetics, and property changes. Following the data on binary systems, the data of ternary systems are presented, beginning with systems which contain one metal and two gases or one gas and carbon and continuing with systems with two metals and one gas or carbon. Within a ternary system the topics are arranged in the same way as in binary systems. (HB) [de
Cabrera-Trujillo, R.; Cruz, S. A.; Soullard, J.
The energy deposited by swift atomic-ion projectiles when colliding with a given target material has been a topic of special scientific interest for the last century due to the variety of applications of ion beams in modern materials technology as well as in medical physics. In this work, we summarize our contributions in this field as a consequence of fruitful discussions and enlightening ideas put forward by one of the main protagonists in stopping power theory during the last three decades: Jens Oddershede. Our review, mainly motivated by Jens' work, evolves from the extension of the orbital implementation of the kinetic theory of stopping through the orbital local plasma approximation, its use in studies of orbital and total mean excitation energies for the study of atomic and molecular stopping until the advances on generalized oscillator strength and sum rules in the study of stopping cross sections. Finally, as a tribute to Jens' work on the orbital implementation of the kinetic theory of stopping, in this work we present new results on the use of the Thomas-Fermi-Dirac-Weizsäcker density functional for the calculation of orbital and total atomic mean excitation energies. The results are applied to free-atoms and and extension is done to confined atoms - taking Si as an example - whereby target pressure effects on stopping are derived. Hence, evidence of the far-yield of Jens' ideas is given.
Bai, Shirong; Skodje, Rex T
2017-08-17
A new approach is presented for simulating the time-evolution of chemically reactive systems. This method provides an alternative to conventional modeling of mass-action kinetics that involves solving differential equations for the species concentrations. The method presented here avoids the need to solve the rate equations by switching to a representation based on chemical pathways. In the Sum Over Histories Representation (or SOHR) method, any time-dependent kinetic observable, such as concentration, is written as a linear combination of probabilities for chemical pathways leading to a desired outcome. In this work, an iterative method is introduced that allows the time-dependent pathway probabilities to be generated from a knowledge of the elementary rate coefficients, thus avoiding the pitfalls involved in solving the differential equations of kinetics. The method is successfully applied to the model Lotka-Volterra system and to a realistic H 2 combustion model.
A Study on the Kinetics of Propane-Activated Carbon: Theory and Experiments
Ismail, Azhar bin
2013-08-01
Experimental kinetics results of propane in Maxsorb III activated carbon is obtained at temperatures of 10°C and 30°C, and pressures up to 800kPa using a magnetic suspension balance. A multi-gradient linear driving force (LDF) approximation is used for adsorbate uptake as a function of time. The LDF mass-transfer-rate coefficients were thus determined. Using this approach, the experimentally derived LDF coefficients based on independently measured kinetic parameters for propane in the activated-carbon bed agree very well with experimental results. The computational efficiency is gained by adopting this extended LDF model. © (2013) Trans Tech Publications, Switzerland.
A Study on the Kinetics of Propane-Activated Carbon: Theory and Experiments
Ismail, Azhar bin; Loh, Wai Soong; Thu, Kyaw; Ng, Kim Choon
2013-01-01
Experimental kinetics results of propane in Maxsorb III activated carbon is obtained at temperatures of 10°C and 30°C, and pressures up to 800kPa using a magnetic suspension balance. A multi-gradient linear driving force (LDF) approximation is used for adsorbate uptake as a function of time. The LDF mass-transfer-rate coefficients were thus determined. Using this approach, the experimentally derived LDF coefficients based on independently measured kinetic parameters for propane in the activated-carbon bed agree very well with experimental results. The computational efficiency is gained by adopting this extended LDF model. © (2013) Trans Tech Publications, Switzerland.
Yeston, Jake Simon [Univ. of California, Berkeley, CA (United States)
2001-01-01
A general introduction is given to place the subsequent chapters in context for the nonspecialist. Results are presented from a low temperature infrared (IR) flash kinetic study of C-H bond activation via photoinduced reaction of Cp*Rh(CO)_{2} (1) with linear and cyclic alkanes in liquid krypton and liquid xenon solution. No reaction was observed with methane; for all other hydrocarbons studied, the rate law supports fragmentation of the overall reaction into an alkane binding step followed by an oxidative addition step. For the binding step, larger alkanes within each series (linear and cyclic) interact more strongly than smaller alkanes with the Rh center. The second step, oxidative addition of the C-H bond across Rh, exhibits very little variance in the series of linear alkanes, while in the cyclic series the rate decreases with increasing alkane size. Results are presented from an IR flash kinetic study of the photoinduced chemistry of Tp*Rh(CO)_{2} (5; Tp* = hydridotris(3,5-dimethylpyrazolyl)borato) in liquid xenon solution at –50 °C. IR spectra of the solution taken 2 μs after 308 nm photolysis exhibit two transient bands at 1972-1980 cm^{-1} and 1992-2000 cm^{-1}, respectively. These bands were assigned to (η^{3}-Tp*)Rh(CO)•Xe and (η^{2}-Tp*)Rh(CO)•Xe solvates on the basis of companion studies using Bp*Rh(CO)_{2} (9; Bp* = dihydridobis(3,5-dimethyl pyrazolyl)borato). Preliminary kinetic data for reaction of 5 with cyclohexane in xenon solution indicate that both transient bands still appear and that their rates of decay correlate with formation of the product Tp*Rh(CO)(C_{6}H_{11})(H). The preparation and reactivity of the new complex Bp*Rh(CO)(pyridine) (11) are described. The complex reacts with CH_{3}I to yield the novel Rh carbene hydride complex HB(Me_{2}pz)_{2}Rh(H)(I)(C_{5}H_{5}N)(C(O)Me) (12), resulting from formal addition of CH
Anon.
1996-01-01
This paper gives a brief presentation of the context, perspectives of production, specificities, and the conditions required for the development of NGV (Natural Gas for Vehicle) and LPG-f (Liquefied Petroleum Gas fuel) alternative fuels. After an historical presentation of 80 years of LPG evolution in vehicle fuels, a first part describes the economical and environmental advantages of gaseous alternative fuels (cleaner combustion, longer engines life, reduced noise pollution, greater natural gas reserves, lower political-economical petroleum dependence..). The second part gives a comparative cost and environmental evaluation between the available alternative fuels: bio-fuels, electric power and fuel gases, taking into account the processes and constraints involved in the production of these fuels. (J.S.)
Kinetic theory of nonlinear viscous flow in two and three dimensions
Ernst, M.H.; Cichocki, B.; Dorfman, J.R.; Sharma, J.; Beijeren, H. van
1978-01-01
On the basis of a nonlinear kinetic equation for a moderately dense system of hard spheres and disks it is shown that shear and normal stresses in a steady-state, uniform shear flow contain singular contributions of the form ¦X¦3/2 for hard spheres, or ¦X¦ log ¦X¦ for hard disks. HereX is
Sly, Krystal L; Conboy, John C
2017-06-01
A novel application of second harmonic correlation spectroscopy (SHCS) for the direct determination of molecular adsorption and desorption kinetics to a surface is discussed in detail. The surface-specific nature of second harmonic generation (SHG) provides an efficient means to determine the kinetic rates of adsorption and desorption of molecular species to an interface without interference from bulk diffusion, which is a significant limitation of fluorescence correlation spectroscopy (FCS). The underlying principles of SHCS for the determination of surface binding kinetics are presented, including the role of optical coherence and optical heterodyne mixing. These properties of SHCS are extremely advantageous and lead to an increase in the signal-to-noise (S/N) of the correlation data, increasing the sensitivity of the technique. The influence of experimental parameters, including the uniformity of the TEM00 laser beam, the overall photon flux, and collection time are also discussed, and are shown to significantly affect the S/N of the correlation data. Second harmonic correlation spectroscopy is a powerful, surface-specific, and label-free alternative to other correlation spectroscopic methods for examining surface binding kinetics.
Narumi, Takayuki; Tokuyama, Michio
2017-03-01
For short-range attractive colloids, the phase diagram of the kinetic glass transition is studied by time-convolutionless mode-coupling theory (TMCT). Using numerical calculations, TMCT is shown to recover all the remarkable features predicted by the mode-coupling theory for attractive colloids: the glass-liquid-glass reentrant, the glass-glass transition, and the higher-order singularities. It is also demonstrated through the comparisons with the results of molecular dynamics for the binary attractive colloids that TMCT improves the critical values of the volume fraction. In addition, a schematic model of three control parameters is investigated analytically. It is thus confirmed that TMCT can describe the glass-glass transition and higher-order singularities even in such a schematic model.
Hurricane, O.A.
1994-09-01
In this dissertation, a new linear Vlasov kinetic theory is developed for calculating the plasma response to perturbing electromagnetic fields in cases where the particle dynamics are stochastic; for modes with frequencies less than the typical particle bounce frequency. A variational form is arrived at which allows one to properly perform a stability analysis for a stochastic plasma. In the case of stochastic dynamics, the authors demonstrate that the plasma responds to the flux tube volume average of the perturbing potentials as opposed to the usual case of adiabatic dynamics where plasma responds to the bounce average of the perturbed potentials. They show that for the stochastic plasma, the kinetic variational form maps into the Bernstein energy principle if the perturbation frequency is large compared to all drift frequencies, the perpendicular wavelength is large compared to the Larmor radius, and vanishing of the potentials associated with the parallel electric field are all assumed. By explicit minimization of the energy principle, it is established that the stochastic plasma is always less stable than an adiabatic plasma. Lastly, the effect of strictly enforcing the quasi-neutrality (QN) condition upon a gyro-kinetic type stability analysis is explored. From simple mathematical considerations, it is shown that when the QN condition is imposed convective type modes that are equipotentials along magnetic field lines are created that alter the stability properties of the plasma. The pertinent modifications to the Bernstein energy principle are given
Mitra, Sukanya [Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat (India)
2018-01-15
The thermodynamics and covariant kinetic theory are elaborately investigated in a non-extensive environment considering the non-extensive generalization of Bose-Einstein (BE) and Fermi-Dirac (FD) statistics. Starting with Tsallis' entropy formula, the fundamental principles of thermostatistics are established for a grand canonical system having q-generalized BE/FD degrees of freedom. Many particle kinetic theory is set up in terms of the relativistic transport equation with q-generalized Uehling-Uhlenbeck collision term. The conservation laws are realized in terms of appropriate moments of the transport equation. The thermodynamic quantities are obtained in a weak non-extensive environment for a massive pion-nucleon and a massless quark-gluon system with non-zero baryon chemical potential. In order to get an estimate of the impact of non-extensivity on the system dynamics, the q-modified Debye mass and hence the q-modified effective coupling are estimated for a quark-gluon system. (orig.)
Mitra, Sukanya
2018-01-01
The thermodynamics and covariant kinetic theory are elaborately investigated in a non-extensive environment considering the non-extensive generalization of Bose-Einstein (BE) and Fermi-Dirac (FD) statistics. Starting with Tsallis' entropy formula, the fundamental principles of thermostatistics are established for a grand canonical system having q-generalized BE/FD degrees of freedom. Many particle kinetic theory is set up in terms of the relativistic transport equation with q-generalized Uehling-Uhlenbeck collision term. The conservation laws are realized in terms of appropriate moments of the transport equation. The thermodynamic quantities are obtained in a weak non-extensive environment for a massive pion-nucleon and a massless quark-gluon system with non-zero baryon chemical potential. In order to get an estimate of the impact of non-extensivity on the system dynamics, the q-modified Debye mass and hence the q-modified effective coupling are estimated for a quark-gluon system.
Kinetic theory of the sausage instability of a z-pinch
Isichenko, M.B.; Kulyabin, K.L.; Yan'kov, V.V.
1989-01-01
A linear problem of z-pinch sausage development is considered taking into account the influence of kinetic effects for ideal scanning current. Plasma electrons are considered to be cold and ions - collisionless. It is also supposed that the magnetic field inside a pinch doesn't affect the motion of ions, which are reflected like in a mirror from a jump of an electric potential arising on the plasma boundary. In case of long-wave perturbations ka >1 the acount of kinetics leads to considerable decrease of the increment [(ka) 1/2 times] in comparison with the hydrodynamic description, that permits to explain the increased instability of z-pinches observed in experiments
Kinetic Isotope Effects (KIE) and Density Functional Theory (DFT): A Match Made in Heaven?
Christensen, Niels Johan; Fristrup, Peter
2015-01-01
Determination of experimental kinetic isotope effects (KIE) is one of the most useful tools for the exploration of reaction mechanisms in organometallic chemistry. The approach has been further strengthened during the last decade with advances in modern computational chemistry. This allows for th...... reaction). The approach is highlighted by using recent examples from both stoichiometric and catalytic reactions, homogeneous and heterogeneous catalysis, and enzyme catalysis to illustrate the expected accuracy and utility of this approach....
Kinetic theory of plasma in the limiter-scrape-off layer
Daybelge, U.; Bein, B.
1977-01-01
An asymptotic solution is given for the ion-drift-kinetic equation with a full Fokker--Planck term for the limiter-scrape-off layer in a tokamak. In this layer, the plasma is assumed to consist of hot, collisionless ions, and cold, collisional electrons. From the solution of the boundary-layer problem, ion and electron particle and energy losses to the limiter are calculated. Limiter load profiles due to ions are explicitly given as functions of the poloidal angle
Quantum field kinetics of QCD quark-gluon transport theory for light-cone dominated processes
Kinder-Geiger, Klaus
1996-01-01
A quantum kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of non-equilibrium multi-parton systems produced in high-energy QCD processes. The approach provides the means to follow the quantum dynamics in both space-time and energy-momentum, starting from an arbitrary initial configuration of high-momentum quarks and gluons. Using a generalized functional integral representation and adopting the `closed-time-path' Green function techniques, a self-consistent set of equations of motions is obtained: a Ginzburg-Landau equation for a possible color background field, and Dyson-Schwinger equations for the 2-point functions of the gluon and quark fields. By exploiting the `two-scale nature' of light-cone dominated QCD processes, i.e. the separation between the quantum scale that specifies the range of short-distance quantum fluctuations, and the kinetic scale that characterizes the range of statistical binary inter- actions, the quantum-field equations of ...
Diffusion-kinetic theories for LET effects on the radiolysis of water
Pimblott, S.M.; LaVerne, J.A.
1994-01-01
Diffusion-kinetic methods are used to investigate the effects of incident particle linear energy transfer (LET) on the radiolysis of water and aqueous solutions. Chemically realistic deterministic diffusion-kinetic calculations examining the scavenging capacity dependences of the scavenged yield of e aq - and of OH demonstrate that the scavenged yields are related to the underlying time-dependent kinetics in the absence of the scavenger by a simple Laplace transform relationship. This relationship is also shown to link the effect of an e eq - scavenger on the formation of H 2 with the time dependence of H 2 production in the absence of the scavenger. The simple Laplace relationship does not work well when applied to H 2 O 2 formation in high-LET particle tracks even though such a relationship is valid with low-LET particles. It is found that while the secondary reaction of H 2 O 2 with e aq - can be neglected in low-LET particle radiolysis, it is of considerable significance in the tracks produced by high-LET particles. The increased importance of this reaction with increasing LET is the major reason for the failure of the Laplace relationship for H 2 O 2 . 55 refs., 9 figs., 2 tabs
Feron, G [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires
1963-09-15
The kinetic study of the reaction U + CO{sub 2} and U + CO has been performed by a thermogravimetric method on a spherical uranium powder, in temperature ranges respectively from 460 to 690 deg. C and from 570 to 850 deg. C. The reaction with carbon dioxide leads to uranium dioxide. A carbon deposition takes place at the same time. The global reactions is the result of two reactions: U + 2 CO{sub 2} {yields} UO{sub 2} + 2 CO U + CO{sub 2} {yields} UO{sub 2} + C The reaction with carbon monoxide leads to a mixture of dioxide UO{sub 2}, dicarbide UC{sub 2} and free carbon. The main reaction can be written. U + CO {yields} 1/2 UO{sub 2} + 1/2 UC{sub 2} The free carbon results of the disproportionation of the carbon monoxide. A remarkable separation of the two phases UO{sub 2} and UC{sub 2} can be observed. A mechanism accounting for the phenomenon has been proposed. The two reactions U + CO{sub 2} and U + CO begin with a long germination period, after which, the reaction velocity seems to be limited in both cases by the ionic diffusion of oxygen through the uranium dioxide. (author) [French] L'etude cinetique des reactions U sol + CO{sub 2} gaz et U sol + CO gaz a ete effectuee par thermogravirnetrie sur une poudre d'uranium a grains spheriques, les domaines de temperature etudies s'etendant respectivement de 460 a 690 deg. C et de 570 a 850 deg. C. L'action du dioxyde de carbone conduit au dioxyde d'uranium UO{sub 2}; il se produit en meme temps un depot de carbone. La reaction globale resulte des deux reactions: U + 2 CO{sub 2} {yields} UO{sub 2} + 2 CO U + CO{sub 2} {yields} UO{sub 2} + C Le mono-oxyde de carbone conduit a un melange de dioxyde UO{sub 2}, de dicarbure UC{sub 2} et de carbone libre. La reaction principale s'ecrit: U + CO {yields} 1/2 UO{sub 2} + 1/2 UC{sub 2} Le carbone libre provient de la dismutation du mono-oxyde de carbone. On observe une separation remarquable des deux phases UO{sub 2} et UC{sub 2}; un mecanisme rendant compte de ce phenomene a
Granroth, Sari; Olovsson, Weine; Holmstroem, Erik; Knut, Ronny; Gorgoi, Mihaela; Svensson, Svante; Karis, Olof
2011-01-01
Advances in instrumentation regarding 3rd generation synchrotron light sources and electron spectrometers has enabled the field of high kinetic energy photoelectron spectroscopy (HIKE) (also often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES)). Over the last years, the amount of investigations that relies on the HIKE method has increased dramatically and can arguably be said to have given a rebirth of the interest in photoelectron spectroscopy in many areas. It is in particular the much increased mean free path at higher kinetic energies in combination with the elemental selectivity of the core level spectroscopies in general that has lead to this fact, as it makes it possible to investigate the electronic structure of materials with a substantially reduced surface sensitivity. In this review we demonstrate how HIKE can be used to investigate the interface properties in multilayer systems. Relative intensities of the core level photoelectron peaks and their chemical shifts derived from binding energy changes are found to give precise information on physico-chemical properties and quality of the buried layers. Interface roughening, including kinetic properties such as the rate of alloying, and temperature effects on the processes can be analyzed quantitatively. We will also provide an outline of the theoretical framework that is used to support the interpretation of data. We provide examples from our own investigations of multilayer systems which comprises both systems of more model character and a multilayer system very close to real applications in devices that are considered to be viable alternative to the present read head technology. The experimental data presented in this review is exclusively recorded at the BESSY-II synchrotron at the Helmholtz-Zentrum Berlin fuer Materialien und Energie. This HIKE facility is placed at the bending magnet beamline KMC-1, which makes it different from several other facilities which relies on undulators as
Quantum field kinetics of QCD: Quark-gluon transport theory for light-cone-dominated processes
Geiger, K.
1996-01-01
A quantum-kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of nonequilibrium multiparton systems produced in high-energy QCD processes. The approach provides the means to follow the quantum dynamics in both space-time and energy-momentum, starting from an arbitrary initial configuration of high-momentum quarks and gluons. Using a generalized functional integral representation and adopting the open-quote open-quote closed-time-path close-quote close-quote Green function techniques, a self-consistent set of equations of motions is obtained: a Ginzburg-Landau equation for a possible color background field, and Dyson-Schwinger equations for the two-point functions of the gluon and quark fields. By exploiting the open-quote open-quote two-scale nature close-quote close-quote of light-cone-dominated QCD processes, i.e., the separation between the quantum scale that specifies the range of short-distance quantum fluctuations, and the kinetic scale that characterizes the range of statistical binary interactions, the quantum field equations of motion are converted into a corresponding set of open-quote open-quote renormalization equations close-quote close-quote and open-quote open-quote transport equations.close-quote close-quote The former describe renormalization and dissipation effects through the evolution of the spectral density of individual, dressed partons, whereas the latter determine the statistical occurrence of scattering processes among these dressed partons. The renormalization equations and the transport equations are coupled, and, hence, must be solved self-consistently. This amounts to evolving the multiparton system, from a specified initial configuration, in time and full seven-dimensional phase space, constrained by the Heisenberg uncertainty principle. (Abstract Truncated)
On the kinetic collisional theory of beam-plasma system (relativistic dielectric tensor). Vol. 2.
Khalil, Sh M; Sayed, Y A; Zaki, N G [Plasma Physics and Nuclear Fusion Department, Nuclear Research Center, Atomic Energy Authority, Cairo, (Egypt)
1996-03-01
Calculation of the dielectric tensor is useful for calculating and oscillations the stability of an inhomogeneous plasma. If the dielectric tensor is known, the problem of oscillations is reduced the derivation of the Maxwellian equations. In this case, there is no need to derive the equations of the motion of charged particles every time. The properties of the plasma, especially those connected to its instability, may be equally well specified through permittivity as through conductivity. The features of plasma instabilities and the plasma dielectric tensor are essentially affected by the presence of collision. Coloumb collisions (C.C.) are very important in the process of no linear saturation of some plasma instabilities (e.g., ion cyclotron instability, electron-ion two stream instability). For C.C., two basic properties are considered; (i) the cross section decreases rapidly as the particle velocity increases, (ii) the dominate contribution arises from a commutative effect of small-angle scattering or small-momentum transfer processes. If allowance is made for C.C. to derive the kinetic wave equations in a homogeneous plasma, it will remove the divergance in the matrix elements describing nonlinear interactions. In this paper, the collisional kinetic wave equation in cylindrical hot plasma is studied. The dielectric and polarizing tensor elements which describes the kinetic relativistic electron beam (REB) interaction with magnetized plasma into consideration the effect of pair C.C. is derived. Most research carried out in this direction has neglected the effect of C.C. In the absence of collisions, a `plauste` is formed on the distribution function, and the adsorption of the energy by the plasma stops. 1 fig.
Kinetic theory and simulation of multi-species plasmas in tokamaks excited with ICRF microwaves
Kerbel, G.D.; McCoy, M.G.
1984-01-01
This paper presents a description of a bounce-averaged Fokker-Planck quasilinear model for the kinetic description of tokamak plasmas. The non-linear collision and quasilinear resonant diffusion operators are represented in a form conducive to numerical solution with specific attention to the treatment of the boundary layer separating trapped and passing orbit regions of velocity space. The numerical techniques employed are detailed in so far as they constitute significant departure from those used in the conventional uniform magnetic field case. Examples are given to illustrate the combined effects of collisional and resonant diffusion
Molecular theory of mass transfer kinetics and dynamics at gas-water interface
Morita, Akihiro; Garrett, Bruce C
2008-01-01
The mass transfer mechanism across gas-water interface is studied with molecular dynamics (MD) simulation. The MD results provide a robust and qualitatively consistent picture to previous studies about microscopic aspects of mass transfer, including interface structure, free energy profiles for the uptake, scattering dynamics and energy relaxation of impinging molecules. These MD results are quantitatively compared with experimental uptake measurements, and we find that the apparent inconsistency between MD and experiment could be partly resolved by precise decomposition of the observed kinetics into elemental steps. Remaining issues and future perspectives toward constructing a comprehensive multi-scale description of interfacial mass transfer are summarized.
Introduction to modern theoretical physics. Volume II. Quantum theory and statistical physics
Harris, E.G.
1975-01-01
The topics discussed include the history and principles, some solvable problems, and symmetry in quantum mechanics, interference phenomena, approximation methods, some applications of nonrelativistic quantum mechanics, relativistic wave equations, quantum theory of radiation, second quantization, elementary particles and their interactions, thermodynamics, equilibrium statistical mechanics and its applications, the kinetic theory of gases, and collective phenomena
Hypothesis of linear relaxation and ion mobility in neutral gases
Naudy, Michel
1980-01-01
The objective of this research thesis is to propose a theory of ion mobility in neutral gases, based on the hypothesis of linear relaxation, in order to obtain simple formula and a good agreement with experiment. The author first presents some generalities on ion mobility such as history and values of interest, and some notions about the way experimental results are obtained, and then theories proposed from 1903 to 1976. He reports two tests. The first one, based on the Boltzmann equation, is based on a method of moments, and requires the use of a computer, but does not give results in good agreement with the experiment. Thus, for the second test, the author used a kinetic equation similar to one used for the study of neutral gas viscosity. This kinetic equation is used for the study of ion mobility in neutral gases, and the author shows that, with a Sutherland potential, a simple formula can be obtained, the results of which can be obtained with a pocket calculator. Moreover, these results are in agreement with experimental values over a portion of the experimental range. In order to reach an agreement over the whole experimental range, a possibility has been to use, in some cases, a more realistic interaction potential. However, a computer was then necessary [fr
Towards an evolutionary theory of the origin of life based on kinetics and thermodynamics.
Pascal, Robert; Pross, Addy; Sutherland, John D
2013-11-06
A sudden transition in a system from an inanimate state to the living state-defined on the basis of present day living organisms-would constitute a highly unlikely event hardly predictable from physical laws. From this uncontroversial idea, a self-consistent representation of the origin of life process is built up, which is based on the possibility of a series of intermediate stages. This approach requires a particular kind of stability for these stages-dynamic kinetic stability (DKS)-which is not usually observed in regular chemistry, and which is reflected in the persistence of entities capable of self-reproduction. The necessary connection of this kinetic behaviour with far-from-equilibrium thermodynamic conditions is emphasized and this leads to an evolutionary view for the origin of life in which multiplying entities must be associated with the dissipation of free energy. Any kind of entity involved in this process has to pay the energetic cost of irreversibility, but, by doing so, the contingent emergence of new functions is made feasible. The consequences of these views on the studies of processes by which life can emerge are inferred.
Das, Biswajit; Gangopadhyay, Gautam
2018-05-01
In the framework of large deviation theory, we have characterized nonequilibrium turnover statistics of enzyme catalysis in a chemiostatic flow with externally controllable parameters, like substrate injection rate and mechanical force. In the kinetics of the process, we have shown the fluctuation theorems in terms of the symmetry of the scaled cumulant generating function (SCGF) in the transient and steady state regime and a similar symmetry rule is reflected in a large deviation rate function (LDRF) as a property of the dissipation rate through boundaries. Large deviation theory also gives the thermodynamic force of a nonequilibrium steady state, as is usually recorded experimentally by a single molecule technique, which plays a key role responsible for the dynamical symmetry of the SCGF and LDRF. Using some special properties of the Legendre transformation, here, we have provided a relation between the fluctuations of fluxes and dissipation rates, and among them, the fluctuation of the turnover rate is routinely estimated but the fluctuation in the dissipation rate is yet to be characterized for small systems. Such an enzymatic reaction flow system can be a very good testing ground to systematically understand the rare events from the large deviation theory which is beyond fluctuation theorem and central limit theorem.
Rate theory of solvent exchange and kinetics of Li+ − BF4−/PF6− ion pairs in acetonitrile
Dang, Liem X.; Chang, Tsun-Mei
2016-01-01
In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li + and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li + in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li + -[BF 4 ] and Li + -[PF 6 ] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li + . We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li + -[BF 4 ] and Li + -[PF 6 ] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems.
Electron kinetics modeling in a weakly ionized gas
Boeuf, Jean-Pierre
1985-01-01
This work presents some features of electron kinetics in a weakly ionized gas. After a summary of the basis and recent developments of the kinetic theory, and a review of the most efficient numerical techniques for solving the Boltzmann equation, several aspects of electron motion in gases are analysed. Relaxation phenomena toward equilibrium under a uniform electric field, and the question of the existence of the hydrodynamic regime are first studied. The coupling between electron kinetics and chemical kinetics due to second kind collisions in Nitrogen is then analysed; a quantitative description of the evolution of the energy balance, accounting for electron-molecule as well as molecule-molecule energy transfer is also given. Finally, electron kinetics in space charge distorted, highly non uniform electric fields (glow discharges, streamers propagation) is investigated with microscopic numerical methods based on Boltzmann and Poisson equations. (author) [fr
Jacob U. Fluckiger
2013-01-01
Full Text Available We show how dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI data can constrain a compartmental model for analyzing dynamic positron emission tomography (PET data. We first develop the theory that enables the use of DCE-MRI data to separate whole tissue time activity curves (TACs available from dynamic PET data into individual TACs associated with the blood space, the extravascular-extracellular space (EES, and the extravascular-intracellular space (EIS. Then we simulate whole tissue TACs over a range of physiologically relevant kinetic parameter values and show that using appropriate DCE-MRI data can separate the PET TAC into the three components with accuracy that is noise dependent. The simulations show that accurate blood, EES, and EIS TACs can be obtained as evidenced by concordance correlation coefficients >0.9 between the true and estimated TACs. Additionally, provided that the estimated DCE-MRI parameters are within 10% of their true values, the errors in the PET kinetic parameters are within approximately 20% of their true values. The parameters returned by this approach may provide new information on the transport of a tracer in a variety of dynamic PET studies.
Araki, Suguru
1991-01-01
The kinetic theory of planetary rings developed by Araki and Tremaine (1986) and Araki (1988) is extended and refined, with a focus on the implications of finite particle size: (1) nonlocal collisions and (2) finite filling factors. Consideration is given to the derivation of the equations for the local steady state, the low-optical-depth limit, and the steady state at finite filling factors (including the effects of collision inelasticity, spin degrees of freedom, and self-gravity). Numerical results are presented in extensive graphs and characterized in detail. The importance of distinguishing effects (1) and (2) at low optical depths is stressed, and the existence of vertical density profiles with layered structures at high filling factors is demonstrated.
Lian, Cheng; Zhao, Shuangliang; Liu, Honglai; Wu, Jianzhong
2016-11-28
Understanding the charging kinetics of electric double layers is of fundamental importance for the design and development of novel electrochemical devices such as supercapacitors and field-effect transistors. In this work, we study the dynamic behavior of room-temperature ionic liquids using a classical time-dependent density functional theory that accounts for the molecular excluded volume effects, the electrostatic correlations, and the dispersion forces. While the conventional models predict a monotonic increase of the surface charge with time upon application of an electrode voltage, our results show that dispersion between ions results in a non-monotonic increase of the surface charge with the duration of charging. Furthermore, we investigate the effects of van der Waals attraction between electrode/ionic-liquid interactions on the charging processes.
Kinetic theory of cross-modulation in a weakly ionized plasma
Garrett, A.J.M.
1991-01-01
Cross-modulation in plasma is an electromagnetic wave interaction in which the modulation of one 'disturbing' wave is imposed nonlinearly on the transport properties of the medium, and thence onto a second, 'wanted' wave propagating linearly through it. This analysis is restricted to weakly ionized plasma with allowance for ambient magnetic field, as in the lower ionosphere. A kinetic description is used, based on the Boltzmann equation for the electrons, with electron-molecule collisions described by Boltzmann's collision integral. Because of the small mass ratio this simplifies to a differential form. There is no cross-modulation if the collision frequency is independent of collision speed, when contributions from all parts of velocity space cancel. (author)
Theory of stochastic space-dependent neutron kinetics with a Gaussian parametric excitation
Saito, K.
1980-01-01
Neutron kinetics and statics in a multiplying medium with a statistically fluctuating reactivity are unified and systematically studied by applying the Novikov-Furutsu formula. The parametric or multiplicative noise is spatially distributed and of Gaussian nature with an arbitrary spectral profile. It is found that the noise introduces a new definite production term into the conventional balance equation for the mean neutron number. The term is characterized by the magnitude and the correlation function of the random excitation. Its relaxation phenomena bring forth a non-Markoffian or a memory effect, which is conceptualised by introducing 'pseudo-precursors' or 'pseudo-delayed neutrons'. By using the concept, some typical reactor physical problems are solved; they are (1) reactivity and flux perturbation originating from the random dispersal of core materials and (2) analysis of neutron decay mode and it relaxation constant, and derivation of the corresponding new inhour equation. (author)
DENSE MULTIPHASE FLOW SIMULATION: CONTINUUM MODEL FOR POLY-DISPERSED SYSTEMS USING KINETIC THEORY
Moses Bogere
2011-08-31
The overall objective of the project was to verify the applicability of the FCMOM approach to the kinetic equations describing the particle flow dynamics. For monodispersed systems the fundamental equation governing the particle flow dynamics is the Boltzmann equation. During the project, the FCMOM was successfully applied to several homogeneous and in-homogeneous problems in different flow regimes, demonstrating that the FCMOM has the potential to be used to solve efficiently the Boltzmann equation. However, some relevant issues still need to be resolved, i.e. the homogeneous cooling problem (inelastic particles cases) and the transition between different regimes. In this report, the results obtained in homogeneous conditions are discussed first. Then a discussion of the validation results for in-homogeneous conditions is provided. And finally, a discussion will be provided about the transition between different regimes. Alongside the work on development of FCMOM approach studies were undertaken in order to provide insights into anisotropy or particles kinetics in riser hydrodynamics. This report includes results of studies of multiphase flow with unequal granular temperatures and analysis of momentum re-distribution in risers due to particle-particle and fluid-particle interactions. The study of multiphase flow with unequal granular temperatures entailed both simulation and experimental studies of two particles sizes in a riser and, a brief discussion of what was accomplished will be provided. And finally, a discussion of the analysis done on momentum re-distribution of gas-particles flow in risers will be provided. In particular a discussion of the remaining work needed in order to improve accuracy and predictability of riser hydrodynamics based on two-fluid models and how they can be used to model segregation in risers.
Guzmán, H. A.; Lárraga, M. E.; Alvarez-Icaza, L.; Carvajal, J.
2018-02-01
In this paper, a reliable cellular automata model oriented to faithfully reproduce deceleration and acceleration according to realistic reactions of drivers, when vehicles with different deceleration capabilities are considered is presented. The model focuses on describing complex traffic phenomena by coding in its rules the basic mechanisms of drivers behavior, vehicles capabilities and kinetics, while preserving simplicity. In particular, vehiclés kinetics is based on uniform accelerated motion, rather than in impulsive accelerated motion as in most existing CA models. Thus, the proposed model calculates in an analytic way three safe preserving distances to determine the best action a follower vehicle can take under a worst case scenario. Besides, the prediction analysis guarantees that under the proper assumptions, collision between vehicles may not happen at any future time. Simulations results indicate that all interactions of heterogeneous vehicles (i.e., car-truck, truck-car, car-car and truck-truck) are properly reproduced by the model. In addition, the model overcomes one of the major limitations of CA models for traffic modeling: the inability to perform smooth approach to slower or stopped vehicles. Moreover, the model is also capable of reproducing most empirical findings including the backward speed of the downstream front of the traffic jam, and different congested traffic patterns induced by a system with open boundary conditions with an on-ramp. Like most CA models, integer values are used to make the model run faster, which makes the proposed model suitable for real time traffic simulation of large networks.
Gases and carbon in metals. Pt. 14
Jehn, H.; Speck, H.; Hehn, W.; Fromm, E.; Hoerz, G.
1981-01-01
This issue is part of a series of data on 'Gases and Carbon in Metals' which supplements the data compilation in the book 'Gase und Kohlenstoff in Metallen' (Gases and Carbon in Metals), edited by E. Fromm and E. Gebhardt, Springer-Verlag, Berlin 1976. The present survey includes results from papers published after the copy deadline and recommends critically selected data. Furthermore, it comprises a bibliography of relevant literature. For each element, firstly data on binary systems are presented, starting with hydrogen and followed by carbon, nitrogen, oxygen, and rare gases. Within one metal-metalloid system the data are listed under topics such as solubility, solubility limit, dissociation pressure of compounds, vapour pressure of volatile oxides, thermodynamic data, diffusion, transport parameters (effective valence, heat of transport), permeation of gases through metals, gas absorption and gas desorption kinetics, compound formation kinetics, precipitation kinetics, and property changes. Following the data on binary systems, the data of ternary systems are presented, beginning with systems which contain one metal and two gases or one gas and carbon and continuing with systems with two metals and one gas or carbon. (orig./GE)
Stout, R B
2001-01-01
A theoretical expression is developed for the dissolution rate response for multi-component radioactive materials that have surface adsorption kinetics and radiolysis kinetics when wetted by a multi-component aqueous solution. An application for this type of dissolution response is the performance evaluation of multi-component spent nuclear fuels (SNFs) for long term interim storage and for geological disposition. Typically, SNF compositions depend on initial composition, uranium oxide and metal alloys being most common, and on reactor burnup which results in a wide range of fission product and actinide concentrations that decay by alpha, beta, and gamma radiation. These compositional/burnup ranges of SNFs, whether placed in interim storage or emplaced in a geologic repository, will potentially be wetted by multi-component aqueous solutions, and these solutions may be further altered by radiolytic aqueous species due to three radiation fields. The solid states of the SNFs are not thermodynamically stable when wetted and will dissolve, with or without radiolysis. The following development of a dissolution theory is based on a non-equilibrium thermodynamic analysis of energy reactions and energy transport across a solid-liquid phase change discontinuity that propagates at a quasi-steady, dissolution velocity. The integral form of the energy balance equation is used for this spatial surface discontinuity analysis. The integral formulation contains internal energy functional of classical thermodynamics for both the SNFs' solid state and surface adsorption species, and the adjacent liquid state, which includes radiolytic chemical species. The steady-state concentrations of radiolytic chemical species are expressed by an approximate analysis of the decay radiation transport equation. For purposes of illustration a modified Temkin adsorption isotherm was assumed for the surface adsorption kinetics on an arbitrary, finite area of the solid-liquid dissolution interface. For
On the relation between Marcus theory and ultrafast spectroscopy of solvation kinetics
Roy, Santanu; Galib, Mirza; Schenter, Gregory K.; Mundy, Christopher J.
2018-01-01
The phenomena of solvent exchange control the process of solvating ions, protons, and charged molecules. Building upon our extension of Marcus' philosophy of electron transfer, we provide a new perspective of ultrafast solvent exchange mechanism around ions measurable by two-dimensional infrared (2DIR) spectroscopy. In this theory, solvent rearrangement drives an ion-bound water to an activated state of higher coordination number, triggering ion-water separation that leads to the solvent-bound state of the water molecule. This ion-bound to solvent-bound transition rate for a BF4--water system is computed using ab initio molecular dynamics and Marcus theory, and is found to be in excellent agreement with the 2DIR measurement.
Nearly perfect fluidity: from cold atomic gases to hot quark gluon plasmas
Schaefer, Thomas; Teaney, Derek
2009-01-01
Shear viscosity is a measure of the amount of dissipation in a simple fluid. In kinetic theory shear viscosity is related to the rate of momentum transport by quasi-particles, and the uncertainty relation suggests that the ratio of shear viscosity η to entropy density s in units of ℎ/k B is bounded by a constant. Here, ℎ is Planck's constant and k B is Boltzmann's constant. A specific bound has been proposed on the basis of string theory where, for a large class of theories, one can show that η/s ≥ ℎ/(4πk B ). We will refer to a fluid that saturates the string theory bound as a perfect fluid. In this review we summarize theoretical and experimental information on the properties of the three main classes of quantum fluids that are known to have values of η/s that are smaller than ℎ/k B . These fluids are strongly coupled Bose fluids, in particular liquid helium, strongly correlated ultracold Fermi gases and the quark gluon plasma. We discuss the main theoretical approaches to transport properties of these fluids: kinetic theory, numerical simulations based on linear response theory and holographic dualities. We also summarize the experimental situation, in particular with regard to the observation of hydrodynamic behavior in ultracold Fermi gases and the quark gluon plasma.
A new variational formulation of kinetic plasma theory and the application of moving finite elements
Glasser, A.H.
1991-01-01
A new variational formulation has been developed for the system of equations governing kinetic plasmas and electromagnetic fields. It is used to apply the method of Moving Finite Elements to the electromagnetic fields. The fields are expanded in a basis of linear finite elements on a movable, unstructured grid of triangles in 2D or tetrahedra in 3D, while the plasma distribution function is expanded in a basis of super particles. Minimization of the variational with respect to the time derivatives of the field quantities yields a coupled system of equations for simultaneously advancing the amplitudes and node positions, resulting in adaptive grid motion. The adaptivity of the grid may save a large factor in the size of the grid and the number of particles required in many problems. Minimization of the variational with respect to the time derivatives of the particle positions and velocities gives the equations of motion, providing consistent prescriptions for assigning particles to the grid and fields to the particles. Orthogonality conditions on the particles are derived as conditions for keeping their equations of motion independent. Collisions can be included in a natural way. The relationship between PIC methods and alternative methods of discretizing phase space is clarified
Yoon, P. H.; Schlickeiser, R.; Kolberg, U.
2014-01-01
Any fully ionized collisionless plasma with finite random particle velocities contains electric and magnetic field fluctuations. The fluctuations can be of three different types: weakly damped, weakly propagating, or aperiodic. The kinetics of these fluctuations in general unmagnetized plasmas, governed by the competition of spontaneous emission, absorption, and stimulated emission processes, is investigated, extending the well-known results for weakly damped fluctuations. The generalized Kirchhoff radiation law for both collective and noncollective fluctuations is derived, which in stationary plasmas provides the equilibrium energy densities of electromagnetic fluctuations by the ratio of the respective spontaneous emission coefficient and the true absorption coefficient. As an illustrative example, the equilibrium energy densities of aperiodic transverse collective electric and magnetic fluctuations in an isotropic thermal electron-proton plasmas of density n e are calculated as |δB|=√((δB) 2 )=2.8(n e m e c 2 ) 1/2 g 1/2 β e 7/4 and |δE|=√((δE) 2 )=3.2(n e m e c 2 ) 1/2 g 1/3 β e 2 , where g and β e denote the plasma parameter and the thermal electron velocity in units of the speed of light, respectively. For densities and temperatures of the reionized early intergalactic medium, |δB|=6·10 −18 G and |δE|=2·10 −16 G result
Juckett, D A; Rosenberg, B
1992-04-21
The distributions for human disease-specific mortality exhibit two striking characteristics: survivorship curves that intersect near the longevity limit; and, the clustering of best-fitting Weibull shape parameter values into groups centered on integers. Correspondingly, we have hypothesized that the distribution intersections result from either competitive processes or population partitioning and the integral clustering in the shape parameter results from the occurrence of a small number of rare, rate-limiting events in disease progression. In this report we initiate a theoretical examination of these questions by exploring serial chain model dynamics and parameteric competing risks theory. The links in our chain models are composed of more than one bond, where the number of bonds in a link are denoted the link size and are the number of events necessary to break the link and, hence, the chain. We explored chains with all links of the same size or with segments of the chain composed of different size links (competition). Simulations showed that chain breakage dynamics depended on the weakest-link principle and followed kinetics of extreme-values which were very similar to human mortality kinetics. In particular, failure distributions for simple chains were Weibull-type extreme-value distributions with shape parameter values that were identifiable with the integral link size in the limit of infinite chain length. Furthermore, for chains composed of several segments of differing link size, the survival distributions for the various segments converged at a point in the S(t) tails indistinguishable from human data. This was also predicted by parameteric competing risks theory using Weibull underlying distributions. In both the competitive chain simulations and the parametric competing risks theory, however, the shape values for the intersecting distributions deviated from the integer values typical of human data. We conclude that rare events can be the source of
Kinetic theory of electromagnetic plane wave obliquely incident on bounded plasma slab
Angus, J. R.; Krasheninnikov, S. I.; Smolyakov, A. I.
2010-01-01
The effects of electromagnetic plane waves obliquely incident on a warm bounded plasma slab of finite length L are studied by solving the coupled Vlasov-Maxwell set of equations. It is shown that the solution can be greatly simplified in the limit where thermal effects are most important by expanding in small parameters and introducing self-similar variables. These solutions reveal that the coupling of thermal effects with the angle of incidence is negligible in the region of bounce resonance and anomalous skin effect. In the region of the anomalous skin effect, the heating is shown to scale linearly with the anomalous skin depth δ a when δ a a >>L, the heating is shown to decay with 1/δ a 3 . The transmission is found to be exponentially larger than that predicted from a local theory in the appropriate region of the anomalous skin effect.
M. Baqeri-Jagharq
2008-12-01
Full Text Available In current work a comprehensive mechanism based on intermediate radical termination theory is assumed for RAFT polymerization of styrene over cumyl dithiobenzoate as RAFT agent. Rate constants for addition (ka and fragmentation reactions (kf are set to 6×106 and 5×104 respectively, which lead to an equilibrium constant value of K = ka/kf = 1.2 x 102. Moment equations method was used to model this mechanism and the results were compared to experimental data to verify modeling. The effects of changing RAFT agent concentration on conversion, molecular weight and polydispersity index of the final product were investigated through the modeling. According to the results, the likelihood of living polymerization increases with raising RAFT agent concentration which leads to linearity of conversion and molecular weight curves and therefore lowering the polydispersity index and narrowing the molecular weight distribution.
Kinetic theory of interaction of high frequency waves with a rotating plasma
Chiu, S. C.; Chan, V. S.; Chu, M. S.; Lin-Liu, Y. R.
2000-01-01
The equations of motion of charged particles of a strongly magnetized flowing plasma under the influence of high frequency waves are derived in the guiding center approximation. A quasilinear theory of the interactions of waves with rotating plasmas is formulated. This is applied to investigate the effect of radio frequency waves on a rotating tokamak plasma with a heated minority species. The angular momentum drive is mainly due to the rf-induced radial minority current. The return current by the bulk plasma gives an equal and opposite rotation drive on the bulk. Using moment equations and a small banana width approximation, the JxB drive was evaluated for the bulk plasma. Quite remarkably, although collisions are included, the net rotation drive is due to a term which can be obtained by neglecting collisions. (c) 2000 American Institute of Physics
Kinetic Theory of quasi-electrostatic waves in non-gyrotropic plasmas
Arshad, K.; Poedts, S.; Lazar, M.
2017-12-01
The orbital angular momentum (OAM) is a trait of helically phased light or helical (twisted) electric field. Lasers carrying orbital angular momentum (OAM) revolutionized many scientific and technological paradigms like microscopy, imaging and ionospheric radar facility to analyze three dimensional plasma dynamics in ionosphere, ultra-intense twisted laser pulses, twisted gravitational waves and astrophysics. This trend has also been investigated in plasma physics. Laguerre-Gaussian type solutions are predicted for magnetic tornadoes and Alfvénic tornadoes which exhibit spiral, split and ring-like morphologies. The ring shape morphology is ideal to fit the observed solar corona, solar atmosphere and Earth's ionosphere. The orbital angular momentum indicates the mediation of electrostatic and electromagnetic waves in new phenomena like Raman and Brillouin scattering. A few years ago, some new effects have been included in studies of orbital angular momentum in plasma regimes such as wave-particle interaction in the presence of helical electric field. Therefore, kinetic studies are carried out to investigate the Landau damping of the waves and growth of the instabilities in the presence helical electric field carrying orbital angular momentum for the Maxwellian distributed plasmas. Recently, a well suited approach involving a kappa distribution function has been adopted to model the twisted space plasmas. This leads to the development of new theoretical grounds for the study of Lorentzian or kappa distributed twisted Langmuir, ion acoustic, dust ion acoustic and dust acoustic modes. The quasi-electrostatic twisted waves have been studied now for the non-gyrotropic dusty plasmas in the presence of the orbital angular momentum of the helical electric field using Generalized Lorentzian or kappa distribution function. The Laguerre-Gaussian (LG) mode function is employed to decompose the perturbed distribution function and electric field into planar (longitudinal) and
Bao, Junwei Lucas; Zheng, Jingjing; Truhlar, Donald G
2016-03-02
Pressure-dependent reactions are ubiquitous in combustion and atmospheric chemistry. We employ a new calibration procedure for quantum Rice-Ramsperger-Kassel (QRRK) unimolecular rate theory within a chemical activation mechanism to calculate the pressure-falloff effect of a radical association with an aromatic ring. The new theoretical framework is applied to the reaction of H with toluene, which is a prototypical reaction in the combustion chemistry of aromatic hydrocarbons present in most fuels. Both the hydrogen abstraction reactions and the hydrogen addition reactions are calculated. Our system-specific (SS) QRRK approach is adjusted with SS parameters to agree with multistructural canonical variational transition state theory with multidimensional tunneling (MS-CVT/SCT) at the high-pressure limit. The new method avoids the need for the usual empirical estimations of the QRRK parameters, and it eliminates the need for variational transition state theory calculations as a function of energy, although in this first application we do validate the falloff curves by comparing SS-QRRK results without tunneling to multistructural microcanonical variational transition state theory (MS-μVT) rate constants without tunneling. At low temperatures, the two approaches agree well with each other, but at high temperatures, SS-QRRK tends to overestimate falloff slightly. We also show that the variational effect is important in computing the energy-resolved rate constants. Multiple-structure anharmonicity, torsional-potential anharmonicity, and high-frequency-mode vibrational anharmonicity are all included in the rate computations, and torsional anharmonicity effects on the density of states are investigated. Branching fractions, which are both temperature- and pressure-dependent (and for which only limited data is available from experiment), are predicted as a function of pressure.
Xiao, Jianjun; Travis, Jack; Royl, Peter; Necker, Gottfried; Svishchev, Anatoly; Jordan, Thomas
2016-07-01
Karlsruhe Institute of Technology (KIT) is developing the parallel computational fluid dynamics code GASFLOW-MPI as a best-estimate tool for predicting transport, mixing, and combustion of hydrogen and other gases in nuclear reactor containments and other facility buildings. GASFLOW-MPI is a finite-volume code based on proven computational fluid dynamics methodology that solves the compressible Navier-Stokes equations for three-dimensional volumes in Cartesian or cylindrical coordinates.
Hrenya, Christine [Univ. of Colorado, Boulder, CO (United States). Chemical and Biological Engineering
2014-09-20
Previous work has indicated that inelastic grains undergoing homogeneous cooling may be unstable, giving rise to the formation of velocity vortices and particle clusters for sufficiently large systems. Such instabilities are observed in industrial coal and biomass gasifiers and are known to influence gas-solid contact area, mixing dynamics, and heat/mass transfer rates. However, the driving mechanisms that lead to vortices and clusters are not well understood. Discrete-particle simulations provide a well-established method for understanding such mechanisms but are not a feasible technique for predicting the behavior of large-scale systems. Kinetic-theory-based continuum models offer an effective means of describing such flows, and instabilities present a stringent test of such models due to the transient, three-dimensional nature of instabilities and the large range of time and length scales over which these mechanisms occur.This work begins with the study, via a combination of continuum models and discrete- particle simulations, of a relatively simple flow and includes additional complexities in a stepwise manner to assess various driving mechanisms. Comparisons with discrete-particle simulations, which offer detailed, well-established (but computationally limited) descriptions of particle flows, indicate the ability of continuum models to accurately incorporate each mechanism. Specifically, the critical length scale for velocity vortices and/or particle clusters are studied via direct numerical simulation, molecular dynamics simulations, linear stability analyses of the continuum model, and transient simulations of the continuum model in a range of flow complexities, including moderate dissipation and particle concentration, frictional particles collisions, high gradients, and gas-solid flows. Strong agreement between kinetic-theory-based continuum models and discrete-particle simulations is found for a range for conditions. Furthermore, discrete
Bogillo, V.I.; Lobanov, V.V.; Gragerov, I.P.
1987-01-01
The calculation of the rate constants for the processes in the reduction of diazonium, tropylium, verdazylium, and pyrylium cations by various organic electron donors, using the equations of the Marcus theory with allowance for the reorganization energy of only the outer coordination sphere, leads to values which are one to seven orders of magnitude higher than the experimental values. By quantum-chemical calculations it was shown that the reduction of diazonium and tropylium cations to the corresponding radicals is accompanied by a substantial change in the structure of the reagents. This leads to high values for the reorganization energy of the inner coordination sphere of the cations, which must be taken into account during calculation of the rate constants. The differences in the rate constants of the processes of direct electron transfer from the electron donors to the organic cations and the recombination of these reagents depend on the dissociation energy of the bond of the cation with the donor leading to the electron transfer products
Nims, Robert J; Durney, Krista M; Cigan, Alexander D; Dusséaux, Antoine; Hung, Clark T; Ateshian, Gerard A
2016-02-06
This study presents a damage mechanics framework that employs observable state variables to describe damage in isotropic or anisotropic fibrous tissues. In this mixture theory framework, damage is tracked by the mass fraction of bonds that have broken. Anisotropic damage is subsumed in the assumption that multiple bond species may coexist in a material, each having its own damage behaviour. This approach recovers the classical damage mechanics formulation for isotropic materials, but does not appeal to a tensorial damage measure for anisotropic materials. In contrast with the classical approach, the use of observable state variables for damage allows direct comparison of model predictions to experimental damage measures, such as biochemical assays or Raman spectroscopy. Investigations of damage in discrete fibre distributions demonstrate that the resilience to damage increases with the number of fibre bundles; idealizing fibrous tissues using continuous fibre distribution models precludes the modelling of damage. This damage framework was used to test and validate the hypothesis that growth of cartilage constructs can lead to damage of the synthesized collagen matrix due to excessive swelling caused by synthesized glycosaminoglycans. Therefore, alternative strategies must be implemented in tissue engineering studies to prevent collagen damage during the growth process.
Sergeev, Alexey; Jovanovic, Raka; Kais, Sabre; Alharbi, Fahhad H
2016-01-01
We consider the density of a fermionic system as a functional of the potential, in one-dimensional case, where it is approximated by the Thomas–Fermi term plus semiclassical corrections through the gradient expansion. We compare this asymptotic series with the exact answer for the case of the harmonic oscillator and the Morse potential. It is found that the leading (Thomas–Fermi) term is in agreement with the exact density, but the subdominant term does not agree in terms of the asymptotic behavior because of the presence of oscillations in the exact density, but their absence in the gradient expansion. However, after regularization of the density by convolution with a Gaussian, the agreement can be established even in the subdominant term. Moreover, it is found that the expansion is always divergent, and its terms grow proportionally to the factorial function of the order, similar to the well-known divergence of perturbation series in field theory and the quantum anharmonic oscillator. Padé–Hermite approximants allow summation of the series, and one of the branches of the approximants agrees with the density. (paper)
A kinetic theory description of the viscosity of dense fluids consisting of chain molecules.
de Wijn, Astrid S; Vesovic, Velisa; Jackson, George; Trusler, J P Martin
2008-05-28
An expression for the viscosity of a dense fluid is presented that includes the effect of molecular shape. The molecules of the fluid are approximated by chains of equal-sized, tangentially jointed, rigid spheres. It is assumed that the collision dynamics in such a fluid can be approximated by instantaneous collisions between two rigid spheres belonging to different chains. The approach is thus analogous to that of Enskog for a fluid consisting of rigid spheres. The description is developed in terms of two molecular parameters, the diameter sigma of the spherical segment and the chain length (number of segments) m. It is demonstrated that an analysis of viscosity data of a particular pure fluid alone cannot be used to obtain independently effective values of both sigma and m. Nevertheless, the chain lengths of n-alkanes are determined by assuming that the diameter of each rigid sphere making up the chain can be represented by the diameter of a methane molecule. The effective chain lengths of n-alkanes are found to increase linearly with the number C of carbon atoms present. The dependence can be approximated by a simple relationship m=1+(C-1)3. The same relationship was reported within the context of a statistical associating fluid theory equation of state treatment of the fluid, indicating that both the equilibrium thermodynamic properties and viscosity yield the same value for the chain lengths of n-alkanes.
Lachowicz, Mirosław
2016-03-01
The very stimulating paper [6] discusses an approach to perception and learning in a large population of living agents. The approach is based on a generalization of kinetic theory methods in which the interactions between agents are described in terms of game theory. Such an approach was already discussed in Ref. [2-4] (see also references therein) in various contexts. The processes of perception and learning are based on the interactions between agents and therefore the general kinetic theory is a suitable tool for modeling them. However the main question that rises is how the perception and learning processes may be treated in the mathematical modeling. How may we precisely deliver suitable mathematical structures that are able to capture various aspects of perception and learning?
Chang, Tsun-Mei; Dang, Liem X.
2017-10-01
Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ethylene carbonate (EC) exchange process between the first and second solvation shells around Li+ and the dissociation kinetics of ion pairs Li+-[BF4] and Li+-[PF6] in this solvent. We calculate the exchange rates using transition state theory and correct them with transmission coefficients computed by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found that the residence times of EC around Li+ ions varied from 60 to 450 ps, depending on the correction method used. We found that the relaxation times changed significantly from Li+-[BF4] to Li+-[PF6] ion pairs in EC. Our results also show that, in addition to affecting the free energy of dissociation in EC, the anion type also significantly influences the dissociation kinetics of ion pairing.
BRANNON,REBECCA M.
2000-11-01
A theory is developed for the response of moderately porous solids (no more than {approximately}20% void space) to high-strain-rate deformations. The model is consistent because each feature is incorporated in a manner that is mathematically compatible with the other features. Unlike simple p-{alpha} models, the onset of pore collapse depends on the amount of shear present. The user-specifiable yield function depends on pressure, effective shear stress, and porosity. The elastic part of the strain rate is linearly related to the stress rate, with nonlinear corrections from changes in the elastic moduli due to pore collapse. Plastically incompressible flow of the matrix material allows pore collapse and an associated macroscopic plastic volume change. The plastic strain rate due to pore collapse/growth is taken normal to the yield surface. If phase transformation and/or pore nucleation are simultaneously occurring, the inelastic strain rate will be non-normal to the yield surface. To permit hardening, the yield stress of matrix material is treated as an internal state variable. Changes in porosity and matrix yield stress naturally cause the yield surface to evolve. The stress, porosity, and all other state variables vary in a consistent manner so that the stress remains on the yield surface throughout any quasistatic interval of plastic deformation. Dynamic loading allows the stress to exceed the yield surface via an overstress ordinary differential equation that is solved in closed form for better numerical accuracy. The part of the stress rate that causes no plastic work (i.e-, the part that has a zero inner product with the stress deviator and the identity tensor) is given by the projection of the elastic stressrate orthogonal to the span of the stress deviator and the identity tensor.The model, which has been numerically implemented in MIG format, has been exercised under a wide array of extremal loading and unloading paths. As will be discussed in a companion
Fuller, Robert G., Ed.; And Others
This is part of a series of 42 Calculus Based Physics (CBP) modules totaling about 1,000 pages. The modules include study guides, practice tests, and mastery tests for a full-year individualized course in calculus-based physics based on the Personalized System of Instruction (PSI). The units are not intended to be used without outside materials;…
Liu, Wenyuan; Sk, Mahasin Alam; Manzhos, Sergei; Martin-Bragado, Ignacio; Benistant, Francis; Cheong, Siew Ann
2017-01-01
A roadblock in utilizing InGaAs for scaled-down electronic devices is its anomalous dopant diffusion behavior; specifically, existing models are not able to explain available experimental data on beryllium diffusion consistently. In this paper, we propose a more comprehensive model, taking self-interstitial migration and Be interaction with Ga and In into account. Density functional theory (DFT) calculations are first used to calculate the energy parameters and charge states of possible diffusion mechanisms. Based on the DFT results, continuum modeling and kinetic Monte Carlo simulations are then performed. The model is able to reproduce experimental Be concentration profiles. Our results suggest that the Frank-Turnbull mechanism is not likely, instead, kick-out reactions are the dominant mechanism. Due to a large reaction energy difference, the Ga interstitial and the In interstitial play different roles in the kick-out reactions, contrary to what is usually assumed. The DFT calculations also suggest that the influence of As on Be diffusion may not be negligible.
Milic, B.S.; Gajic, D.Z.
1994-01-01
Quasi-perpendicular electromagnetic ion-cyclotron (QPEMIC) modes and instabilities are studied, on the ground of linear theory of perturbations and kinetic equations with BGK collision integrals, in weakly ionized, low-β and moderately non-isothermal plasmas placed in non-parallel electric and magnetic fields. The magnetization is assumed to be sufficiently high to cut off the perpendicular steady-state current. Special attention is given to evaluation of magnitudes of the threshold drifts required for the onset of instabilities. It is found that these drifts are smaller than those for the corresponding quasi-perpendicular electrostatic ion-cyclotron (QPESIC) instabilities studied previously for the same type of plasmas. Both QPEMIC and QPESIC threshold drifts exhibit the same behavioural pattern if the order of harmonic, magnetization, non-isothermality or the angle between the fields are varied. An increase of the angle between the fields lowers the threshold drifts, which means that the presence of u perpendicular to (or E perpendicular to ) facilitates the excitation of both QPEMIC and QPESIC instabilities. The QPEMIC threshold drifts are found to depend on the overall gas pressure, and to decrease as the pressure is lowered, which is a feature not found in the QPESIC case. The discrepancies between the QPEMIC and QPESIC threshold drifts increase if the pressure decreases, or if magnetization, degree of ionization or ion charge number increase. (orig.)
Viktorov, A A; Zharinov, G M; Neklasova, N Ju; Morozova, E E
2017-01-01
The article presents a methodical approach for prediction of life expectancy for people diagnosed with prostate cancer based on the kinetic theory of aging of living systems. The life expectancy is calculated by solving the differential equation for the rate of aging for three different stage of life - «normal» life, life with prostate cancer and life after combination therapy for prostate cancer. The mathematical model of aging for each stage of life has its own parameters identified by the statistical analysis of healthcare data from the Zharinov's databank and Rosstat CDR NES databank. The core of the methodical approach is the statistical correlation between growth rate of the prostate specific antigen level (PSA-level) or the PSA doubling time (PSA DT) before therapy, and lifespan: the higher the PSA DT is, the greater lifespan. The patients were grouped under the «fast PSA DT» and «slow PSA DT» categories. The satisfactory matching between calculations and experiment is shown. The prediction error of group life expectancy is due to the completeness and reliability of the main data source. A detailed monitoring of the basic health indicators throughout the each person life in each analyzed group is required. The absence of this particular information makes it impossible to predict the individual life expectancy.
Misra, K.D.; Mishra, P.K.
2002-01-01
A self-consistent theory of a free-electron laser is developed by the kinetic approach, using the method of characteristics in helical wiggler and guide magnetic fields. The detailed relativistic particle trajectories obtained in wiggler and guide magnetic fields are used in linearized Vlasov-Maxwell equations having variations in perpendicular and parallel momenta to obtain the perturbed distribution function in terms of perturbed electric and magnetic fields deviating from the vector potential approach. The perturbed distribution function thus obtained, having variations in perpendicular and parallel momenta for an arbitrary distribution function, is used to obtain current, conductivity and dielectric tensors. The full dispersion relation (FDR) and Compton dispersion relation (CDR) have been obtained. The dispersion diagram has been obtained and the interaction of the negative longitudinal space charge with the electromagnetic wave has been shown. The temporal growth rates obtained from the full dispersion relation and Compton dispersion relation for the tenuous cold relativistic beam in microwave region have been discussed
Soliton Gases and Generalized Hydrodynamics
Doyon, Benjamin; Yoshimura, Takato; Caux, Jean-Sébastien
2018-01-01
We show that the equations of generalized hydrodynamics (GHD), a hydrodynamic theory for integrable quantum systems at the Euler scale, emerge in full generality in a family of classical gases, which generalize the gas of hard rods. In this family, the particles, upon colliding, jump forward or backward by a distance that depends on their velocities, reminiscent of classical soliton scattering. This provides a "molecular dynamics" for GHD: a numerical solver which is efficient, flexible, and which applies to the presence of external force fields. GHD also describes the hydrodynamics of classical soliton gases. We identify the GHD of any quantum model with that of the gas of its solitonlike wave packets, thus providing a remarkable quantum-classical equivalence. The theory is directly applicable, for instance, to integrable quantum chains and to the Lieb-Liniger model realized in cold-atom experiments.
Giona, Massimiliano; Brasiello, Antonio; Crescitelli, Silvestro
2017-08-01
This third part extends the theory of Generalized Poisson-Kac (GPK) processes to nonlinear stochastic models and to a continuum of states. Nonlinearity is treated in two ways: (i) as a dependence of the parameters (intensity of the stochastic velocity, transition rates) of the stochastic perturbation on the state variable, similarly to the case of nonlinear Langevin equations, and (ii) as the dependence of the stochastic microdynamic equations of motion on the statistical description of the process itself (nonlinear Fokker-Planck-Kac models). Several numerical and physical examples illustrate the theory. Gathering nonlinearity and a continuum of states, GPK theory provides a stochastic derivation of the nonlinear Boltzmann equation, furnishing a positive answer to the Kac’s program in kinetic theory. The transition from stochastic microdynamics to transport theory within the framework of the GPK paradigm is also addressed.
Giona, Massimiliano; Brasiello, Antonio; Crescitelli, Silvestro
2017-01-01
This third part extends the theory of Generalized Poisson–Kac (GPK) processes to nonlinear stochastic models and to a continuum of states. Nonlinearity is treated in two ways: (i) as a dependence of the parameters (intensity of the stochastic velocity, transition rates) of the stochastic perturbation on the state variable, similarly to the case of nonlinear Langevin equations, and (ii) as the dependence of the stochastic microdynamic equations of motion on the statistical description of the process itself (nonlinear Fokker–Planck–Kac models). Several numerical and physical examples illustrate the theory. Gathering nonlinearity and a continuum of states, GPK theory provides a stochastic derivation of the nonlinear Boltzmann equation, furnishing a positive answer to the Kac’s program in kinetic theory. The transition from stochastic microdynamics to transport theory within the framework of the GPK paradigm is also addressed. (paper)
Maggi, Federico; Riley, William J.
2009-12-01
The theoretical formulation of biological kinetic isotope fractionation often assumes first-order or Michaelis-Menten kinetics, the latter solved under the quasi-steady state assumption. Both formulations lead to a constant isotope fractionation factor, therefore they may return incorrect estimations of isotopic effects and misleading interpretations of isotopic signatures when fractionation is not a steady process. We have analyzed the isotopic signature of denitrification in biogeochemical soil systems by Menyailo and Hungate (2006) in which high and variable 15N-N2O enrichment during N2O production and inverse isotope fractionation during N2O consumption could not be explained with first-order kinetics and the Rayleigh equation, or with Michaelis-Menten kinetics. When Michaelis-Menten kinetics were coupled to Monod kinetics to describe biomass and enzyme dynamics, and the quasi-steady state assumption was relaxed, transient Michaelis-Menten-Monod kinetics accurately reproduced the observed concentrations, and variable and inverse isotope fractionations. These results imply a substantial revision in modeling isotopic effects, suggesting that steady state kinetics such as first-order, Rayleigh, and classic Michaelis-Menten kinetics should be superseded by transient kinetics in conjunction with biomass and enzyme dynamics.
Boltzmann, Ludwig
2011-01-01
One of the great masterpieces of theoretical physics, this classic work contains a comprehensive exposition of the kinetic theory of gases that is still relevant today, nearly 100 years after its first publication. Although the modifications of quantum mechanics have rendered some parts of the work obsolete, many of the topics dealt with still yield to the classical-mechanics approach outlined by Boltzmann; moreover, a variety of problems in aerodynamics, nuclear reactors, and thermonuclear power generation are best solved by Boltzmann's famous transport equation.The work is divided into two
Bertolus, Marjorie; Major, Mohamed; Brenner, Valerie
2012-01-01
The validity of the description of the DFT approximations currently implemented in plane wave DFT codes (LDA, GGA, meta-GGA, hybrid, GGA + empirical dispersion correction) for interactions between rare gases and open-shell atoms which form materials is poorly known. We have performed a first assessment of the accuracy of these functionals for the description of the bonds formed by helium, argon, krypton and xenon with various open-shell atoms. This evaluation has been done on model molecular systems for which precise experimental data are available and reference post-Hartree-Fock calculations (CCSD(T) using large basis sets) are feasible. The results show that when the rare gas atom shares density with the neighbouring atoms, the GGA functionals yield good geometries and qualitatively correct binding energies, even if these are quite significantly overestimated. The use of hybrid functionals enables us to obtain good geometries and satisfactory binding energies. For compounds in which the rare gas atom forms weak dispersive-like bonding, the accuracy yielded by the various functionals is not as good. No functional gives satisfactory binding energies for all the compounds investigated. Several GGA and hybrid functionals yield correct geometries, even if some isomers are not obtained. One GGA functional (PBE) yields qualitatively correct results for the compounds of the three rare gases and several hybrid functionals give satisfactory energies for He compounds. The addition of an empirical dispersive correction improves the results on association compounds, but several isomers are not found. (authors)
Bertolus, Marjorie; Major, Mohamed; Brenner, Valérie
2012-01-14
The validity of the description of the DFT approximations currently implemented in plane wave DFT codes (LDA, GGA, meta-GGA, hybrid, GGA + empirical dispersion correction) for interactions between rare gases and open-shell atoms which form materials is poorly known. We have performed a first assessment of the accuracy of these functionals for the description of the bonds formed by helium, argon, krypton and xenon with various open-shell atoms. This evaluation has been done on model molecular systems for which precise experimental data are available and reference post-Hartree-Fock calculations (CCSD(T) using large basis sets) are feasible. The results show that when the rare gas atom shares density with the neighbouring atoms, the GGA functionals yield good geometries and qualitatively correct binding energies, even if these are quite significantly overestimated. The use of hybrid functionals enables us to obtain good geometries and satisfactory binding energies. For compounds in which the rare gas atom forms weak dispersive-like bonding, the accuracy yielded by the various functionals is not as good. No functional gives satisfactory binding energies for all the compounds investigated. Several GGA and hybrid functionals yield correct geometries, even if some isomers are not obtained. One GGA functional (PBE) yields qualitatively correct results for the compounds of the three rare gases and several hybrid functionals give satisfactory energies for He compounds. The addition of an empirical dispersive correction improves the results on association compounds, but several isomers are not found.
Slyusarenko, Yurii V.; Sliusarenko, Oleksii Yu.
2017-11-01
We develop a microscopic approach to the construction of the kinetic theory of dilute weakly ionized gas of hydrogen-like atoms. The approach is based on the statements of the second quantization method in the presence of bound states of particles. The basis of the derivation of kinetic equations is the method of reduced description of relaxation processes. Within the framework of the proposed approach, a system of common kinetic equations for the Wigner distribution functions of free oppositely charged fermions of two kinds (electrons and cores) and their bound states—hydrogen-like atoms— is obtained. Kinetic equations are used to study the spectra of elementary excitations in the system when all its components are non-degenerate. It is shown that in such a system, in addition to the typical plasma waves, there are longitudinal waves of matter polarization and the transverse ones with a behavior characteristic of plasmon polaritons. The expressions for the dependence of the frequencies and Landau damping coefficients on the wave vector for all branches of the oscillations discovered are obtained. Numerical evaluation of the elementary perturbation parameters in the system on an example of a weakly ionized dilute gas of the 23Na atoms using the D2-line characteristics of the natrium atom is given. We note the possibility of using the results of the developed theory to describe the properties of a Bose condensate of photons in the diluted weakly ionized gas of hydrogen-like atoms.
Shiraishi, Junya; Miyato, Naoaki; Matsunaga, Go
2016-05-10
It is found that new channels of energy exchange between macro- and microscopic dynamics exist in plasmas. They are induced by macroscopic plasma flow. This finding is based on the kinetic-magnetohydrodynamic (MHD) theory, which analyses interaction between macroscopic (MHD-scale) motion and microscopic (particle-scale) dynamics. The kinetic-MHD theory is extended to include effects of macroscopic plasma flow self-consistently. The extension is realised by generalising an energy exchange term due to wave-particle resonance, denoted by δ WK. The first extension is generalisation of the particle's Lagrangian, and the second one stems from modification to the particle distribution function due to flow. These extensions lead to a generalised expression of δ WK, which affects the MHD stability of plasmas.
McGrail, B. PETER; Icenhower, Jonathan P.; Rodriguez, Elsa A.; McGrail, B.P.; Cragnolino, G.A.
2002-01-01
Discrepancies between classical kinetic rate law theory and experiment were quantitatively assessed and found to correlate with macromolecular amorphous separation in the sodium borosilicate glass system. A quantitative reinterpretation of static corrosion data and new SPFT data shows that a recently advanced protective surface layer theory fails to describe the observed dissolution behavior of simple and complex silicate glasses under carefully controlled experimental conditions. The hypothesis is shown to be self-inconsistent in contrast with a phase separation model that is in quantitative agreement with experiments
Duan, Yifei; Feng, Zhi-Gang
2017-12-01
Kinetic theory (KT) has been successfully used to model rapid granular flows in which particle interactions are frictionless and near elastic. However, it fails when particle interactions become frictional and inelastic. For example, the KT is not able to accurately predict the free cooling process of a vibrated granular medium that consists of inelastic frictional particles under microgravity. The main reason that the classical KT fails to model these flows is due to its inability to account for the particle surface friction and its inelastic behavior, which are the two most important factors that need be considered in modeling collisional granular flows. In this study, we have modified the KT model that is able to incorporate these two factors. The inelasticity of a particle is considered by establishing a velocity-dependent expression for the restitution coefficient based on many experimental studies found in the literature, and the particle friction effect is included by using a tangential restitution coefficient that is related to the particle friction coefficient. Theoretical predictions of the free cooling process by the classical KT and the improved KT are compared with the experimental results from a study conducted on an airplane undergoing parabolic flights without the influence of gravity [Y. Grasselli, G. Bossis, and G. Goutallier, Europhys. Lett. 86, 60007 (2009)10.1209/0295-5075/86/60007]. Our results show that both the velocity-dependent restitution coefficient and the particle surface friction are important in predicting the free cooling process of granular flows; the modified KT model that integrates these two factors is able to improve the simulation results and leads to better agreement with the experimental results.
Gutierrez T, C.; Beltran P, M.
2006-01-01
To reach the quasi stationary work regime of a Tokamak, it is necessary to optimize the current generation by non inductive methods with the injection of radio-frequency waves (RF), such as the electron cyclotron waves, cyclotron ion, and in the inferior hybrid one. At the moment, the powers of the radiation sources are very big for what the such no-lineal effects as the ponderomotive force are very important. In the case of the electron cyclotron waves, in the mark of the lineal theory of waves propagation, using extraordinary waves (first and second harmonic), the problem of the singularity always arises in the exact resonance. One of the ways of eliminating this singularity is considering that the group of electrons under resonance conditions is big (quasi lineal theory) or introducing such non lineal effects such as the ponderomotive force. In the obtaining of the ponderomotive force under resonance conditions this indetermination arises also. In this work the kinetic theory to obtain the expression of the ponderomotive force in the cyclotron resonance of the electrons, where the Vlasov kinetic equation expands up to second order with regard to the electric field of the RF wave. The kinetic approach allows to the analysis of the ponderomotive force under resonance conditions considering the Landau integration method. (Author)
Magnetized plasma kinetic theory
Hassan, M.H.A.; Watson, C.J.H.
1977-01-01
The magnetized Balescu-Lenard Collision integral for a multi-species plasma in the form derived by Hassan and Watson (1976) is approximated by ignoring wave effects. The resulting collision integral is put in Fokker-Planck form and most of the integrals occurring in the coefficients are performed analytically. The remaining integral is evaluated approximately in various limits for ion-electron, electron-electron and electron-ion interactions. (author)
[Gases in vitreoretinal surgery].
Janco, L; Vida, R; Bartos, M; Villémová, K; Izák, M
2012-02-01
To evaluate the importance and benefits of using gases in vitreoretinal surgery. The gases represent a wide group of substances used in eye surgery for more than 100 years. The role of intraocular gases in vitreoretinal surgery is irreplaceable. Their use is still considered to be the "gold standard". An important step in eye surgery was the introduction of expanding gases--sulfur hexafluoride and perfluorocarbons into routine clinical practice. The most common indications for the use of intraocular gases are: retinal detachment, idiopathic macular hole, complications of vitreoretinal surgery and others. The introduction of intraocular gases into routine clinical practice, along with other modern surgical techniques resulted in significant improvement of postoperative outcomes in a wide range of eye diseases. Understanding the principles of intraocular gases use brings the benefits to the patient and physician as well. Due to their physical and chemical properties they pose far the best and most appropriate variant of intraocular tamponade. Gases also bring some disadvantages, such as difficulties in detailed fundus examination, visual acuity testing, ultrasonographic examination, difficulties in application of intravitreal drugs or reduced possibility of retina laser treatment. The gases significantly change optical system properties of the eye. The use of gases in vitreoretinal surgery has significantly increased success rate of retinal detachment surgery, complicated posterior segment cases, trauma, surgery of the macula and other diseases.
Evaluation of thermodynamic properties of solubility of noble gases in nitrogen tetroxide
Drugachenok, M.A.; Baklaj, A.A.; Basharina, L.P.
1986-01-01
The Henry constants and Gibbs energies of dissolution of noble gases in nitrogen tetroxide have been calculated on the basis of the theory of infinitely dilute solutions. A satisfactory agreement between the calculated and experimental results has been obtained. With the increase of the gas atomic mass, enthalpy of solubility decreases monotonously, so that the process of krypton and xenon slubility in nitrogen tetroxide occurs with heat release. Xenon solubility rises with the increase of temperature. Argon solubility in the condition of operation of the loop plant condenser involves investigation of kinetic behaviour of this process
Oeien, A.H.
1977-06-01
Sets of lower order and higher order kinetic and macroscopic equations are developed for a plasma where collisions are important but electrons and ions are allowed to have different temperatures when transports, due to gradients and fields, set in. Solving the lower order kinetic equations and taking appropriate velocity moments we show that usual classical transports emerge. From the higher order kinetic equations special notice is taken of some new correction terms to the classical transports. These corrections are linear in gradients and fields, some of which are found in a two-temperature state only. (Auth.)
Extraction with supercritical gases
Schneider, G M; Wilke, G; Stahl, E
1980-01-01
The contents of this book derives from a symposium on the 5th and 6th of June 1978 in the ''Haus der Technik'' in Essen. Contributions were made to separation with supercritical gases, fluid extraction of hops, spices and tobacco, physicochemical principles of extraction, phase equilibria and critical curves of binary ammonia-hydrocarbon mixtures, a quick method for the microanalytical evaluation of the dissolving power of supercritical gases, chromatography with supercritical fluids, the separation of nonvolatile substances by means of compressed gases in countercurrent processes, large-scale industrial plant for extraction with supercritical gases, development and design of plant for high-pressure extraction of natural products.
Schoen, Helmut
2015-01-01
Technical gases are used in almost every field of industry, science and medicine and also as a means of control by government authorities and institutions and are regarded as indispensable means of assistance. In this complete handbook of purified gases the physical foundations of purified gases and mixtures as well as their manufacturing, purification, analysis, storage, handling and transport are presented in a comprehensive way. This important reference work is accompanied with a large number of Data Sheets dedicated to the most important purified gases.
Tomkins, RPT
1991-01-01
This volume contains tabulated collections and critical evaluations of original data for the solubility of gases in molten salts, gathered from chemical literature through to the end of 1989. Within the volume, material is arranged according to the individual gas. The gases include hydrogen halides, inert gases, oxygen, nitrogen, hydrogen, carbon dioxide, water vapor and halogens. The molten salts consist of single salts, binary mixtures and multicomponent systems. Included also, is a special section on the solubility of gases in molten silicate systems, focussing on slags and fluxes.
Avalanches in insulating gases
Verhaart, H.F.A.
1982-01-01
Avalanches of charged particles in gases are often studied with the ''electrical method'', the measurement of the waveform of the current in the external circuit. In this thesis a substantial improvement of the time resolution of the measuring setup, to be used for the electrical method, is reported. The avalanche is started by an N 2 -laser with a pulse duration of only 0.6 ns. With this laser it is possible to release a high number of primary electrons (some 10 8 ) which makes it possible to obtain sizeable signals, even at low E/p values. With the setup it is possible to analyze current waveforms with a time resolution down to 1.4 ns, determined by both the laser and the measuring system. Furthermore it is possible to distinguish between the current caused by the electrons and the current caused by the ions in the avalanche and to monitor these currents simultaneously. Avalanche currents are measured in N 2 , CO 2 , O 2 , H 2 O, air of varying humidity, SF 6 and SF 6 /N 2 mixtures. Depending on the nature of the gas and the experimental conditions, processes as diffusion, ionization, attachment, detachment, conversion and secondary emission are observed. Values of parameters with which these processes can be described, are derived from an analysis of the current waveforms. For this analysis already published theories and new theories described in this thesis are used. The drift velocity of both the electrons and the ions could be easily determined from measured avalanche currents. Special attention is paid to avalanches in air becasue of the practical importance of air insulation. (Auth.)
Lafleur, T.; Martorelli, R.; Chabert, P.; Bourdon, A.
2018-06-01
Kinetic drift instabilities have been implicated as a possible mechanism leading to anomalous electron cross-field transport in E × B discharges, such as Hall-effect thrusters. Such instabilities, which are driven by the large disparity in electron and ion drift velocities, present a significant challenge to modelling efforts without resorting to time-consuming particle-in-cell (PIC) simulations. Here, we test aspects of quasi-linear kinetic theory with 2D PIC simulations with the aim of developing a self-consistent treatment of these instabilities. The specific quantities of interest are the instability growth rate (which determines the spatial and temporal evolution of the instability amplitude), and the instability-enhanced electron-ion friction force (which leads to "anomalous" electron transport). By using the self-consistently obtained electron distribution functions from the PIC simulations (which are in general non-Maxwellian), we find that the predictions of the quasi-linear kinetic theory are in good agreement with the simulation results. By contrast, the use of Maxwellian distributions leads to a growth rate and electron-ion friction force that is around 2-4 times higher, and consequently significantly overestimates the electron transport. A possible method for self-consistently modelling the distribution functions without requiring PIC simulations is discussed.
Weikl, Thomas R.; Hu, Jinglei; Xu, Guang-Kui; Lipowsky, Reinhard
2016-01-01
ABSTRACT The adhesion of cell membranes is mediated by the binding of membrane-anchored receptor and ligand proteins. In this article, we review recent results from simulations and theory that lead to novel insights on how the binding equilibrium and kinetics of these proteins is affected by the membranes and by the membrane anchoring and molecular properties of the proteins. Simulations and theory both indicate that the binding equilibrium constant K2D and the on- and off-rate constants of anchored receptors and ligands in their 2-dimensional (2D) membrane environment strongly depend on the membrane roughness from thermally excited shape fluctuations on nanoscales. Recent theory corroborated by simulations provides a general relation between K2D and the binding constant K3D of soluble variants of the receptors and ligands that lack the membrane anchors and are free to diffuse in 3 dimensions (3D). PMID:27294442
Properties of noble gases and binary mixtures for closed Brayton Cycle applications
Tournier, Jean-Michel P.; El-Genk, Mohamed S.
2008-01-01
A review is conducted of the properties of the noble gases, helium, neon, argon, krypton and xenon, and their binary mixtures at pressures from 0.1 to 20 MPa and temperatures up to 1400 K. An extensive database of experimental measurements is compiled and used to develop semi-empirical properties correlations. The correlations accurately account for the effects of pressure and temperature on the thermodynamic and transport properties of these gases for potential uses in space (∼2 MPa and up to 1400 K) and terrestrial (∼7.0 MPa and up to 1200 K) applications of Closed Brayton Cycle (CBC). The developed correlations are based on the Chapman-Enskog kinetic theory for dilute gases, and on the application of the law of corresponding states to account for the dependence of properties on pressure. The correlations use the critical temperature and density of the gases as scaling parameters, and their predictions are compared with the compiled database. At temperatures ≥400 K and pressures ≤2 MPa in CBC space power systems, He and Ne, and the binary mixtures of He-Xe and He-Kr with molecular weights ≤40 g/mole behave essentially like a perfect gas, and the error of neglecting the effect of pressure on their compressibility factor, specific heats and transport properties is ≤1%. At a typical operating pressure of 7.0 MPa and up to 1200 K in terrestrial CBC power plants, neglecting the effect of pressure can result in ∼4% error in the properties of noble gases and the binary mixtures of He-Xe and He-Kr with molecular weights ≤40 g/mole, and as much as 20% error for pure argon. Therefore, when operating at pressures >2.0 MPa and/or using noble gases or binary mixtures with molecular weights > 40 g/mole, the present correlations should be used to accurately predict the thermodynamic and transport properties
Shiroudi, Abolfazl; Zahedi, Ehsan; Oliaey, Ahmad Reza; Deleuze, Michael S.
2017-03-01
The thermal decomposition kinetics of 2-chloroethylsilane and derivatives in the gas phase has been studied computationally using density functional theory, along with various exchange-correlation functionals (UM06-2x and ωB97XD) and the aug-cc-pVTZ basis set. The calculated energy profile has been supplemented with calculations of kinetic rate constants under atmospheric pressure and in the fall-off regime, using transition state theory (TST) and statistical Rice-Ramsperger-Kassel-Marcus (RRKM) theory. Activation energies and rate constants obtained using the UM06-2x/aug-cc-pVTZ approach are in good agreement with the experimental data. The decomposition of 2-chloroethyltriethylsilane species into the related products [C2H4 + Et3SiCl] is characterized by 6 successive structural stability domains associated to the sequence of catastrophes C8H19SiCl: 6-C†FCC†[FF]-0: C6H15SiCl + C2H4. Breaking of Si-C bonds and formation of Si-Cl bonds occur in the vicinity of the transition state.
Raudino, Antonio; Pannuzzo, Martina
2010-01-28
A semiquantitative theory aimed to describe the adhesion kinetics between soft objects, such as living cells or vesicles, has been developed. When rigid bodies are considered, the adhesion kinetics is successfully described by the classical Derjaguin, Landau, Verwey, and Overbeek (DLVO) picture, where the energy profile of two approaching bodies is given by a two asymmetrical potential wells separated by a barrier. The transition probability from the long-distance to the short-distance minimum defines the adhesion rate. Conversely, soft bodies might follow a different pathway to reach the short-distance minimum: thermally excited fluctuations give rise to local protrusions connecting the approaching bodies. These transient adhesion sites are stabilized by short-range adhesion forces (e.g., ligand-receptor interactions between membranes brought at contact distance), while they are destabilized both by repulsive forces and by the elastic deformation energy. Above a critical area of the contact site, the adhesion forces prevail: the contact site grows in size until the complete adhesion of the two bodies inside a short-distance minimum is attained. This nucleation mechanism has been developed in the framework of a nonequilibrium Fokker-Planck picture by considering both the adhesive patch growth and dissolution processes. In addition, we also investigated the effect of the ligand-receptor pairing kinetics at the adhesion site in the time course of the patch expansion. The ratio between the ligand-receptor pairing kinetics and the expansion rate of the adhesion site is of paramount relevance in determining the overall nucleation rate. The theory enables one to self-consistently include both thermodynamics (energy barrier height) and dynamic (viscosity) parameters, giving rise in some limiting cases to simple analytical formulas. The model could be employed to rationalize fusion kinetics between vesicles, provided the short-range adhesion transition is the rate
Silaev, M. A.
2018-06-01
We develop a theory based on the formalism of quasiclassical Green's functions to study the spin dynamics in superfluid ^3He. First, we derive kinetic equations for the spin-dependent distribution function in the bulk superfluid reproducing the results obtained earlier without quasiclassical approximation. Then, we consider spin dynamics near the surface of fully gapped ^3He-B-phase taking into account spin relaxation due to the transitions in the spectrum of localized fermionic states. The lifetimes of longitudinal and transverse spin waves are calculated taking into account the Fermi-liquid corrections which lead to a crucial modification of fermionic spectrum and spin responses.
Perez-Benito, Joaquin F.
2017-01-01
The elementary reaction sequence A ? I ? Products is the simplest mechanism for which the steady-state and quasi-equilibrium kinetic approximations can be applied. The exact integrated solutions for this chemical system allow inferring the conditions that must fulfill the rate constants for the different approximations to hold. A graphical…
electron- emission (multipactor) region, and (3) the low-frequency region. The breakdown mechanism in each of these regions is explained. An extensive bibliography on AC breakdown in gases is included.
Sarmah, Amrit; Roy, Ram Kinkar, E-mail: rkroy2@rediffmail.com
2016-06-15
Highlights: • Kinetic and thermodynamic aspects of the interaction between fullerene (C{sub 32}) and SWCNT using CDASE scheme. • Role of symmetry of fullerenes as well as the site of covalent attachment to the SWCNT in the structural stability of the NanoBud structure. • Increase in the fullerene symmetry improves the relative stability of hybrid NanoBud structure. - Abstract: In the present study, we have rationalized the effect of variation in the symmetry of relatively smaller fullerene (C{sub 32}) on the mode of its interaction with semi-conducting Single-Walled Carbon Nanotubes (SWCNTs) in the process of formation of stable hybrid carbon NanoBuds. Thermodynamic and kinetic parameters, along with the charge transfer values associated with the interaction between fullerene and SWCNTs, have been evaluated using an un-conventional and computationally cost–effective method based on density functional reactivity theory (DFRT). In addition to this, conventional DFT based studies are also performed to substantiate the growth of NanoBud structures formed by the interaction between fullerene and SWCNTs. The findings of the present study suggest that the kinetic, thermodynamic and structural aspects of hybrid carbon NanoBuds are significantly influenced by both the symmetry of C{sub 32} fullerene and its site of covalent attachment to the SWCNT.
Reale Gase, tiefe Temperaturen
Heintze, Joachim
Wir werden uns in diesem Kapitel zunächst mit der van der Waals'schen Zustandsgleichung befassen. In dieser Gleichung wird versucht, die Abweichungen, die reale Gase vom Verhalten idealer Gase zeigen, durch physikalisch motivierte Korrekturterme zu berücksichtigen. Es zeigt sich, dass die van derWaals-Gleichung geeignet ist, nicht nur die Gasphase, sondern auch die Phänomene bei der Verflüssigung von Gasen und den kritischen Punkt zu beschreiben.
Wright, R.J.; Pacer, J.C.
1981-01-01
Interest continues to grow in the use of helium and radon detection as a uranium exploration tool because, in many instances, these radiogenic gases are the only indicators of deeply buried mineralization. The origin of these gases, their migration in the ground, the type of samples and measurement techniques are discussed. Case histories of comparative tests conducted on known uranium deposits at three geologically diverse sites in the United States of America are also presented. (author)
Tuckerman, Mark E; Chandra, Amalendu; Marx, Dominik
2010-09-28
Extraction of relaxation times, lifetimes, and rates associated with the transport of topological charge defects in hydrogen-bonded networks from molecular dynamics simulations is a challenge because proton transfer reactions continually change the identity of the defect core. In this paper, we present a statistical mechanical theory that allows these quantities to be computed in an unbiased manner. The theory employs a set of suitably defined indicator or population functions for locating a defect structure and their associated correlation functions. These functions are then used to develop a chemical master equation framework from which the rates and lifetimes can be determined. Furthermore, we develop an integral equation formalism for connecting various types of population correlation functions and derive an iterative solution to the equation, which is given a graphical interpretation. The chemical master equation framework is applied to the problems of both hydronium and hydroxide transport in bulk water. For each case it is shown that the theory establishes direct links between the defect's dominant solvation structures, the kinetics of charge transfer, and the mechanism of structural diffusion. A detailed analysis is presented for aqueous hydroxide, examining both reorientational time scales and relaxation of the rotational anisotropy, which is correlated with recent experimental results for these quantities. Finally, for OH(-)(aq) it is demonstrated that the "dynamical hypercoordination mechanism" is consistent with available experimental data while other mechanistic proposals are shown to fail. As a means of going beyond the linear rate theory valid from short up to intermediate time scales, a fractional kinetic model is introduced in the Appendix in order to describe the nonexponential long-time behavior of time-correlation functions. Within the mathematical framework of fractional calculus the power law decay ∼t(-σ), where σ is a parameter of the
Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es; Bartolomei, Massimiliano [Instituto de Física Fundamental (C.S.I.C.), Serrano 123, E-28006 Madrid (Spain); Mitrushchenkov, Alexander O. [Laboratoire Modélisation et Simulation Multi Echelle, Université Paris-Est, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France); Stoll, Hermann [Institut für Theoretische Chemie, Universität Stuttgart, D-70550 Stuttgart (Germany)
2015-11-21
The accuracy and transferability of the electronic structure approach combining dispersionless density functional theory (DFT) [K. Pernal et al., Phys. Rev. Lett. 103, 263201 (2009)] with the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)], are validated for the interaction between the noble-gas Ne, Ar, Kr, and Xe atoms and coronene/graphene/graphite surfaces. This approach uses the method of increments for surface cluster models to extract intermonomer dispersion-like (2- and 3-body) correlation terms at coupled cluster singles and doubles and perturbative triples level, while periodic dispersionless density functionals calculations are performed to estimate the sum of Hartree-Fock and intramonomer correlation contributions. Dispersion energy contributions are also obtained using DFT-based symmetry-adapted perturbation theory [SAPT(DFT)]. An analysis of the structure of the X/surface (X = Ne, Ar, Kr, and Xe) interaction energies shows the excellent transferability properties of the leading intermonomer correlation contributions across the sequence of noble-gas atoms, which are also discussed using the Drude oscillator model. We further compare these results with van der Waals-(vdW)-corrected DFT-based approaches. As a test of accuracy, the energies of the low-lying nuclear bound states supported by the laterally averaged X/graphite potentials (X = {sup 3}He, {sup 4}He, Ne, Ar, Kr, and Xe) are calculated and compared with the best estimations from experimental measurements and an atom-bond potential model using the ab initio-assisted fine-tuning of semiempirical parameters. The bound-state energies determined differ by less than 6–7 meV (6%) from the atom-bond potential model. The crucial importance of including incremental 3-body dispersion-type terms is clearly demonstrated, showing that the SAPT(DFT) approach effectively account for these terms. With the deviations from the best experimental-based estimations smaller than 2.3 meV (1.9%), the
Shchekin, Alexander K; Shabaev, Ilya V; Hellmuth, Olaf
2013-02-07
Thermodynamic and kinetic peculiarities of nucleation, deliquescence and efflorescence transitions in the ensemble of droplets formed on soluble condensation nuclei from a solvent vapor have been considered. The interplay of the effects of solubility and the size of condensation nuclei has been analyzed. Activation barriers for the deliquescence and phase transitions and for the reverse efflorescence transition have been determined as functions of the relative humidity of the vapor-gas atmosphere, initial size, and solubility of condensation nuclei. It has been demonstrated that, upon variations in the relative humidity of the atmosphere, the crossover in thermodynamically stable and unstable variables of the droplet state takes place. The physical meaning of stable and unstable variables has been clarified. The kinetic equations for establishing equilibrium and steady distributions of binary droplets have been solved. The specific times for relaxation, deliquescence and efflorescence transitions have been calculated.
March, N.H.
2008-08-01
In early work by the writer introducing the Pauli potential VP (r) into density functional theory, the relation of VP (r) to the, as yet unknown, single-particle kinetic energy density functional was emphasized. Here, because of ongoing experiments on ultracold atomic gases of fermions, an explicit expression for the first derivative of VP (r) for an arbitrary number of closed shells generated by harmonic confinement is derived in terms of the spherically symmetric particle density n(r) and the confining potential. (author)
Zhang, Hui; Zhang, Xin; Truhlar, Donald G; Xu, Xuefei
2017-11-30
The reaction between H and benzene is a prototype for reactions of radicals with aromatic hydrocarbons. Here we report calculations of the reaction rate constants and the branching ratios of the two channels of the reaction (H addition and H abstraction) over a wide temperature and pressure range. Our calculations, obtained with an accurate potential energy surface, are based on variational transition-state theory for the high-pressure limit of the addition reaction and for the abstraction reaction and on system-specific quantum Rice-Ramsperger-Kassel theory calibrated by variational transition-state theory for pressure effects on the addition reaction. The latter is a very convenient way to include variational effects, corner-cutting tunneling, and anharmonicity in falloff calculations. Our results are in very good agreement with the limited experimental data and show the importance of including pressure effects in the temperature interval where the mechanism changes from addition to abstraction. We found a negative temperature effect of the total reaction rate constants at 1 atm pressure in the temperature region where experimental data are missing and accurate theoretical data were previously missing as well. We also calculated the H + C 6 H 6 /C 6 D 6 and D + C 6 H 6 /C 6 D 6 kinetic isotope effects, and we compared our H + C 6 H 6 results to previous theoretical data for H + toluene. We report a very novel nonmonotonic dependence of the kinetic isotope effect on temperature. A particularly striking effect is the prediction of a negative temperature dependence of the total rate constant over 300-500 K wide temperature ranges, depending on the pressure but generally in the range from 600 to 1700 K, which includes the temperature range of ignition in gasoline engines, which is important because aromatics are important components of common fuels.
Eliyahu, Ian
2015-01-01
In this research, various kinetic models were developed for LiF:Mg,Ti crystals, both in the irradiation and recombination stages. The models were later used to improve on track structure theory, which attempts to describe radiation effects of Heavy charged particle. To achieve this goal, the research focused on three main areas of endeavor. 1. In the first experimental measurements of optical absorption on LiF:Mg,Ti following low ionization density radiation (photons) and high ionization density protons and He ions were carried out in order to investigate the degree of applicability of track structure theory to the prediction of heavy charged particle induced effects of radiation. These measurements are described below. a) Photon induced optical absorption (OA) dose response was measured over an extended dose-range from 10 Gy to 105 Gy for the main OA bands in LiF:Mg,Ti, i.e., the 4.0 eV band (trapping center associated with glow peak 5 in the thermoluminescence glow curve), 4.77 eV band , 5.08 eV (F band) and 5.45 eV band. The extended dose-range allowed the unambiguous determination of linear/exponentially saturation behavior for all the OA bands. For the two main OA bands of interest at 4.0 eV and 5.08 eV, the dose filling factor was determined to be 5 ± 0.6.10-4 Gy-1 and 6.1 ± 0.4 × 10-5 Gy-1 respectively. The surprising, previously unexplained, linear/exponentially saturating dose response of the F band even though vacancies/F centers are being created by the radiation was explained in a kinetic analysis also described in the following. b) Heavy charged particle (HCP) optical absorption was carried out for 1.4 MeV protons and 4 MeV He ions at the SARAF, RARAF and BINA accelerators. Fluence response was measured over the extended range from 1010 cm-2 to 2.1014 cm-2. The low fluence region from 1010 cm-2 to 1011 cm-2 in the no-track-overlap regime allows a comparison of the experimental measurements and the track structure theory (TST) evaluations of the
Properties of gases, liquids, and solutions principles and methods
Mason, Warren P
2013-01-01
Physical Acoustics: Principles and Methods, Volume ll-Part A: Properties of Gases, Liquids, and Solutions ponders on high frequency sound waves in gases, liquids, and solids that have been proven as effective tools in examining the molecular, domain wall, and other types of motions. The selection first offers information on the transmission of sound waves in gases at very low pressures and the phenomenological theory of the relaxation phenomena in gases. Topics include free molecule propagation, phenomenological thermodynamics of irreversible processes, and simultaneous multiple relaxation pro
Measuring Viscosities of Gases at Atmospheric Pressure
Singh, Jag J.; Mall, Gerald H.; Hoshang, Chegini
1987-01-01
Variant of general capillary method for measuring viscosities of unknown gases based on use of thermal mass-flowmeter section for direct measurement of pressure drops. In technique, flowmeter serves dual role, providing data for determining volume flow rates and serving as well-characterized capillary-tube section for measurement of differential pressures across it. New method simple, sensitive, and adaptable for absolute or relative viscosity measurements of low-pressure gases. Suited for very complex hydrocarbon mixtures where limitations of classical theory and compositional errors make theoretical calculations less reliable.
Mehdi, H.; Monier, G.; Hoggan, P. E.; Bideux, L.; Robert-Goumet, C.; Dubrovskii, V. G.
2018-01-01
The high density of interface and surface states that cause the strong Fermi pinning observed on GaAs surfaces can be reduced by depositing GaN ultra-thin films on GaAs. To further improve this passivation, it is necessary to investigate the nitridation phenomena by identifying the distinct steps occurring during the process and to understand and quantify the growth kinetics of GaAs nitridation under different conditions. Nitridation of the cleaned GaAs substrate was performed using N2 plasma source. Two approaches have been combined. Firstly, an AR-XPS (Angle Resolved X-ray Photoelectron Spectroscopy) study is carried out to determine the chemical environments of the Ga, As and N atoms and the composition depth profile of the GaN thin film which allow us to summarize the nitridation process in three steps. Moreover, the temperature and time treatment have been investigated and show a significant impact on the formation of the GaN layer. The second approach is a refined growth kinetic model which better describes the GaN growth as a function of the nitridation time. This model clarifies the exchange mechanism of arsenic with nitrogen atoms at the GaN/GaAs interface and the phenomenon of quasi-saturation of the process observed experimentally.
Two-order parameters theory of the metal-insulator phase transition kinetics in the magnetic field
Dubovskii, L. B.
2018-05-01
The metal-insulator phase transition is considered within the framework of the Ginzburg-Landau approach for the phase transition described with two coupled order parameters. One of the order parameters is the mass density which variation is responsible for the origin of nonzero overlapping of the two different electron bands and the appearance of free electron carriers. This transition is assumed to be a first-order phase one. The free electron carriers are described with the vector-function representing the second-order parameter responsible for the continuous phase transition. This order parameter determines mostly the physical properties of the metal-insulator transition and leads to a singularity of the surface tension at the metal-insulator interface. The magnetic field is involved into the consideration of the system. The magnetic field leads to new singularities of the surface tension at the metal-insulator interface and results in a drastic variation of the phase transition kinetics. A strong singularity in the surface tension results from the Landau diamagnetism and determines anomalous features of the metal-insulator transition kinetics.
Kreuzer, Hans Jürgen
1986-01-01
This monograph deals with the kinetics of adsorption and desorption of molecules physisorbed on solid surfaces. Although frequent and detailed reference is made to experiment, it is mainly concerned with the theory of the subject. In this, we have attempted to present a unified picture based on the master equation approach. Physisorption kinetics is by no means a closed and mature subject; rather, in writing this monograph we intended to survey a field very much in flux, to assess its achievements so far, and to give a reasonable basis from which further developments can take off. For this reason we have included many papers in the bibliography that are not referred to in the text but are of relevance to physisorption. To keep this monograph to a reasonable size, and also to allow for some unity in the presentation of the material, we had to omit a number of topics related to physisorption kinetics. We have not covered to any extent the equilibrium properties of physisorbed layers such as structures, phase tr...
Yang, Jing; Youssef, Mostafa; Yildiz, Bilge
2018-01-01
In this work, we quantify oxygen self-diffusion in monoclinic-phase zirconium oxide as a function of temperature and oxygen partial pressure. A migration barrier of each type of oxygen defect was obtained by first-principles calculations. Random walk theory was used to quantify the diffusivities of oxygen interstitials by using the calculated migration barriers. Kinetic Monte Carlo simulations were used to calculate diffusivities of oxygen vacancies by distinguishing the threefold- and fourfold-coordinated lattice oxygen. By combining the equilibrium defect concentrations obtained in our previous work together with the herein calculated diffusivity of each defect species, we present the resulting oxygen self-diffusion coefficients and the corresponding atomistically resolved transport mechanisms. The predicted effective migration barriers and diffusion prefactors are in reasonable agreement with the experimentally reported values. This work provides insights into oxygen diffusion engineering in Zr O2 -related devices and parametrization for continuum transport modeling.
Curiosities of arithmetic gases
Bakas, I.; Bowick, M.J.
1991-01-01
Statistical mechanical systems with an exponential density of states are considered. The arithmetic analog of parafermions of arbitrary order is constructed and a formula for boson-parafermion equivalence is obtained using properties of the Riemann zeta function. Interactions (nontrivial mixing) among arithmetic gases using the concept of twisted convolutions are also introduced. Examples of exactly solvable models are discussed in detail
Leonhardt, J.W.
1985-01-01
Problems in the studies of radiation effects in gases are discussed. By means of ionization- excitation- and electron-capture yields various applications are characterized: ionization detectors, X-ray detectors, radionuclide battery, and radiation-induced chemical gas-phase reactions. Some new results of basic research in respect to the SO 2 oxidation are discussed. (author)
2006-06-01
This road-map proposes by the Group Total aims to inform the public on the greenhouse effect gases. It presents the greenhouses effect as a key component of the climate system, the impacts of the human activity, the foreseeable consequences of global warming, the Kyoto protocol and Total commitment in the domain. (A.L.B.)
Khain, Evgeniy; Meerson, Baruch; Sasorov, Pavel V
2008-10-01
Thermal wall is a convenient idealization of a rapidly vibrating plate used for vibrofluidization of granular materials. The objective of this work is to incorporate the Knudsen temperature jump at thermal wall in the Navier-Stokes hydrodynamic modeling of dilute granular gases of monodisperse particles that collide nearly elastically. The Knudsen temperature jump manifests itself as an additional term, proportional to the temperature gradient, in the boundary condition for the temperature. Up to a numerical prefactor O(1) , this term is known from kinetic theory of elastic gases. We determine the previously unknown numerical prefactor by measuring, in a series of molecular dynamics (MD) simulations, steady-state temperature profiles of a gas of elastically colliding hard disks, confined between two thermal walls kept at different temperatures, and comparing the results with the predictions of a hydrodynamic calculation employing the modified boundary condition. The modified boundary condition is then applied, without any adjustable parameters, to a hydrodynamic calculation of the temperature profile of a gas of inelastic hard disks driven by a thermal wall. We find the hydrodynamic prediction to be in very good agreement with MD simulations of the same system. The results of this work pave the way to a more accurate hydrodynamic modeling of driven granular gases.
Simulation of diffusion in concentrated lattice gases
Kehr, K.W.
1986-01-01
Recently the diffusion of particles in lattice gases was studied extensively by theoretical methods and numerical simulations. This paper reviews work on collective and, in particular, on tracer diffusion. The diffusion of tagged particles is characterized by a correlation factor whose behavior as a function of concentration is now well understood. Also the detailed kinetics of the tracer transitions was investigated. A special case is the one-dimensional lattice gas where the tracer diffusion coefficient vanishes. An interesting extension is the case of tagged atoms with a different transition rate. This model allows to study various physical situations, including impurity diffusion, percolation, and diffusion in partially blocked lattices. Finally some recent work on diffusion in lattice gases under the influence of a drift field will be reported. (author)
Rao Weifeng [Department of Materials Science and Engineering, Rutgers University, 607 Taylor Road, Piscataway, NJ 08854 (United States); Khachaturyan, Armen G., E-mail: khach@jove.rutgers.edu [Department of Materials Science and Engineering, Rutgers University, 607 Taylor Road, Piscataway, NJ 08854 (United States)
2011-06-15
A phase field theory of proper displacive transformations is developed to address the microstructure evolution and its response to applied fields in decomposing and martensitic systems. The theory is based on the explicit equation for the non-equilibrium free energy function of the transformation strain obtained by a consistent separation of the total strain into transformation and elastic strains. The transformation strain is considered to be a relaxing long-range order parameter evolving in accordance with the system energetics rather than as a fixed material constant used in the conventional Eshelby theory of coherent inclusions. The elastic strain is defined as a coherency strain recovering the crystal lattice compatibility. The obtained free energy function of the transformation strain leads to the concepts of structural anisotropy and directional flexibility of low symmetry phases. The formulated vector model of displacive transformation makes apparent a similarity between proper displacive transformation and ferromagnetic/ferroelectric transformation and, in particular, a similarity between the structural anisotropy and magnetic/polar anisotropy of ferromagnetic/ferroelectric materials. It even predicts the feasibility of a glass-like structural state with unlimited directional flexibility of the transformation strain that is conceptually similar to a ferromagnetic glass. The thermodynamics of the equilibrium between low symmetry phases and the thermodynamic conditions leading to the formation of adaptive states are formulated.
Radiation treatment of combustion gases: formulation and test of a reaction model
Busi, F.; D'Angelantonio, M.; Mulazzani, Q.G.; Raffaelli, V.; Tubertini, O.
1985-01-01
A generalized kinetic mechanism for radiation induced oxidation of nitrogen oxides from exhaust gases in the absence of sulfur dioxide is formulated. The responses obtained by the mathematical simulation are in good agreement with reported experimental results. (author)
Kinetic theory of the positive column of a low-pressure discharge in a transverse magnetic field
Londer, Ya. I.; Ul’yanov, K. N.
2011-01-01
The influence of a transverse magnetic field on the characteristics of the positive column of a planar low-pressure discharge is studied theoretically. The motion of magnetized electrons is described in the framework of a continuous-medium model, while the ion motion in the ambipolar electric field is described by means of a kinetic equation. Using mathematical transformations, the problem is reduced to a secondorder ordinary differential equation, from which the spatial distribution of the potential is found in an analytic form. The spatial distributions of the plasma density, mean plasma velocity, and electric potential are calculated, the ion velocity distribution function at the plasma boundary is found, and the electron energy as a function of the magnetic field is determined. It is shown that, as the magnetic field rises, the electron energy increases, the distributions of the plasma density and mean plasma velocity become asymmetric, the maximum of the plasma density is displaced in the direction of the Ampère force, and the ion flux in this direction becomes substantially larger than the counter-directed ion flux.
Kobayashi, K.
1979-03-01
TP1, a FORTRAN-IV program based on transport theory, has been developed to determine reactivity effects and kinetic parameters such as effective delayed neutron fractions and mean generation time by applying the usual perturbation formalism for one-dimensional geometry. Direct and adjoint angular dependent neutron fluxes are read from an interface file prepared by using the one-dimensional Ssub(n)-code DTK which provides options for slab, cylindrical and spherical geometry. Multigroup cross sections which are equivalent to those of the DTK-calculations are supplied in the SIGM-block which is also read from an interface file. This block which is usually produced by the code GRUCAL should contain the necessary delayed neutron data, which can be added to the original SIGMN-block by using the code SIGMUT. Two perturbation options are included in TP1: a) the usual first oder perturbation theory can be applied to determine probe reactivities, b) assuming that there are available direct fluxes for the unperturbed reactor system and adjoint fluxes for the perturbed system, the exact reactivity effect induced by the perturbation can be determined by an exact perturbation calculation. According to the input specifications, the output lists the reactivity contributions for each neutron reaction process in the desired detailed spatial and energy group resolution. (orig./RW) [de
Ertaş, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Kocakaplan, Yusuf [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)
2013-12-15
Dynamic phase diagrams are presented for the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field by use of the effective-field theory with correlations. The dynamic equation of the average magnetization is obtained for the square lattice by utilizing the Glauber-type stochastic process. Dynamic phase diagrams are presented in the reduced temperature and the magnetic field amplitude plane. We also investigated the effect of longitudinal field frequency. Finally, the discussion and comparison of the phase diagrams are given. - Highlights: • Dynamic behaviors in the spin-3/2 Blume–Capel system is investigated by the effective-field theory based on the Glauber-type stochastic dynamics. • The dynamic phase transitions and dynamic phase diagrams are obtained. • The effects of the longitudinal field frequency on the dynamic phase diagrams of the system are investigated. • Dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and several critical points as well as a re-entrant behavior.
Ertaş, Mehmet; Kocakaplan, Yusuf; Keskin, Mustafa
2013-01-01
Dynamic phase diagrams are presented for the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field by use of the effective-field theory with correlations. The dynamic equation of the average magnetization is obtained for the square lattice by utilizing the Glauber-type stochastic process. Dynamic phase diagrams are presented in the reduced temperature and the magnetic field amplitude plane. We also investigated the effect of longitudinal field frequency. Finally, the discussion and comparison of the phase diagrams are given. - Highlights: • Dynamic behaviors in the spin-3/2 Blume–Capel system is investigated by the effective-field theory based on the Glauber-type stochastic dynamics. • The dynamic phase transitions and dynamic phase diagrams are obtained. • The effects of the longitudinal field frequency on the dynamic phase diagrams of the system are investigated. • Dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and several critical points as well as a re-entrant behavior
Process of radioactive waste gases
Queiser, H.; Schwarz, H.; Schroter, H.J.
1975-01-01
A method is described in which the radiation level of waste gases from nuclear power plants containing both activation and fission gases is controlled at or below limits permitted by applicable standards by passing such gases, prior to release to the atmosphere, through an adsorptive delay path including a body of activated carbon having the relation to the throughput and character of such gases. (U.S.)
Functional renormalization and ultracold quantum gases
Floerchinger, Stefan
2010-01-01
Modern techniques from quantum field theory are applied in this work to the description of ultracold quantum gases. This leads to a unified description of many phenomena including superfluidity for bosons and fermions, classical and quantum phase transitions, different dimensions, thermodynamic properties and few-body phenomena as bound state formation or the Efimov effect. The non-perturbative treatment with renormalization group flow equations can account for all known limiting cases by solving one single equation. It improves previous results quantitatively and brings qualitatively new insights. As an example, new quantum phase transitions are found for fermions with three spin states. Ultracold atomic gases can be seen as an interesting model for features of high energy physics and for condensed matter theory. The research reported in this thesis helps to solve the difficult complexity problem in modern theoretical physics. (orig.)
Properties of quantum self-gravitating gases
Rumyantseva, E.N.
1981-01-01
Ways of development of the quantum field theory in the general relativity theory are under consideration. A direction, where consideration of quantum fields in strong nonstatic gravitational fields leads to such effects as particle production, is found out. Authors managed to explain properties of quantum self-gravitating gases on the base of an expansion the fugacity in power series for bose- and fermi gases. Expressions for fluctuations in statistical models of the Fridmann universe are presented. The spectrum density of relict neutrinos in Fridmann models is calculated. A characteristic low boundary of the neutrino energy spectrum constitutes 1 MeV. A number of neutrinos with such energies practically is equal to zero. A great number of neutrinos has energies 0 . It is precisely these neurinos, which are responsible for the closed state of the universe according to the built up model
Arachiche, B.; Elandaloussi, H.
1996-01-01
For a country like Algeria, fuel gases represent an important economical challenge. To answer the increasing energy demand in the transportation sector, the use of fuel gases allows to preserve the petroleum reserves and to create specific industrial structures devoted to LPG-f (liquefied petroleum gas-fuel) and NGV (natural gas for vehicles). This paper presents the energy policy of Algeria, its reserves, production, and exportations of hydrocarbons and the internal rational use of energy sources according to its economic and environmental policy and to its internal needs. The energy consumption of Algeria in the transportation sector represents 2/3 of the petroleum products consumed in the internal market and follows a rapid increase necessary to the socio-economic development of the country. The Algerian experience in fuel gases is analysed according to the results of two successive experimentation periods for the development of NGV before and after 1994, and the resulting transportation and distribution network is described. The development of LPG-f has followed also an experimental phase for the preparation of regulation texts and a first statement of the vehicles conversion to LPG-f is drawn with its perspectives of development according to future market and prices evolutions. (J.S.)
Grima, R
2010-07-21
regions of parameter space in which there are maximum differences between the solutions of the master equation and the corresponding rate equations. We show that these differences depend sensitively on the Fano factors and on the inherent structure and topology of the chemical network. The theory of effective mesoscopic rate equations generalizes the conventional rate equations of physical chemistry to describe kinetics in systems of mesoscopic size such as biological cells.
Laurent Chusseau
2013-02-01
Full Text Available We show that the thermodynamics of ideal gases may be derived solely from the Democritean concept of corpuscles moving in vacuum plus a principle of simplicity, namely that these laws are independent of the laws of motion, aside from the law of energy conservation. Only a single corpuscle in contact with a heat bath submitted to a z and t-invariant force is considered. Most of the end results are known but the method appears to be novel. The mathematics being elementary, the present paper should facilitate the understanding of the ideal gas law and of classical thermodynamics even though not-usually-taught concepts are being introduced.
Mean Free Path in Soccer and Gases
Luzuriaga, J.
2010-01-01
The trajectories of the molecules in an ideal gas and of the ball in a soccer game are compared. The great difference between these motions and some similarities are discussed. This example could be suitable for discussing many concepts in kinetic theory in a way that can be pictured by students for getting a more intuitive understanding. It could…
Removing radioactive noble gases from nuclear process off-gases
Lofredo, A.
1977-01-01
A system is claimed for separating, concentrating and storing radioactive krypton and xenon in the off-gases from a boiling water reactor, wherein adsorption and cryogenic distillation are both efficiently used for rapid and positive separation and removal of the radioactive noble gases, and for limiting such gases in circulation in the system to low inventory at all times, and wherein the system is self-regulating to eliminate operator options or attention
Yongbin Chang
2011-09-01
Full Text Available By introducing a cutoff on the cumulative measure of a force, a unified kinetic theory is developed for both rigid-sphere and inverse-square force laws. The difference between the two kinds of interactions is characterized by a parameter, γ, which is 1 for rigid-sphere interactions and -3 for inverse-square force law interactions. The quantities governed by γ include the specific reaction rates, kernels, collision frequencies, arbitrarily high orders of transition moments, arbitrarily high orders of Fokker-Planck expansion (also called Kramers-Moyal expansion coefficients, and arbitrarily high orders of energy exchange rates. The cutoff constants are shown to be incomplete gamma functions of different orders. The widely used cutoff constant in plasma physics (usually known as Coulomb logarithm is found to be exactly the zeroth order of the incomplete gamma function. The well known Arrhenius reaction rate formula comes from the first order of the incomplete gamma functions, while the negative first order can be used for fitting the fusion reaction rate between deuterium and tritium.
Neumaier, Marco; Weigend, Florian; Hampe, Oliver; Kappes, Manfred M.
2006-01-01
Near thermal energy reactive collisions of small mixed metal cluster cations Ag m Au n + (m+n=4, 5, and 6) with carbon monoxide have been studied in the room temperature Penning trap of a Fourier transform ion-cyclotron-resonance mass spectrometer as a function of cluster size and composition. The tetrameric species AgAu 3 + and Ag 2 Au 2 + are found to react dissociatively by way of Au or Ag atom loss, respectively, to form the cluster carbonyl AgAu 2 CO + . In contrast, measurements on a selection of pentamers and hexamers show that CO is added with absolute rate constants that decrease with increasing silver content. Experimentally determined absolute rate constants for CO adsorption were analyzed using the radiative association kinetics model to obtain cluster cation-CO binding energies ranging from 0.77 to 1.09 eV. High-level ab initio density functional theory (DFT) computations identifying the lowest-energy cluster isomers and the respective CO adsorption energies are in good agreement with the experimental findings clearly showing that CO binds in a ''head-on'' fashion to a gold atom in the mixed clusters. DFT exploration of reaction pathways in the case of Ag 2 Au 2 + suggests that exoergicities are high enough to access the minimum energy products for all reactive clusters probed
Neumaier, Marco; Weigend, Florian; Hampe, Oliver; Kappes, Manfred M.
2006-09-01
Near thermal energy reactive collisions of small mixed metal cluster cations AgmAun+ (m +n=4, 5, and 6) with carbon monoxide have been studied in the room temperature Penning trap of a Fourier transform ion-cyclotron-resonance mass spectrometer as a function of cluster size and composition. The tetrameric species AgAu3+ and Ag2Au2+ are found to react dissociatively by way of Au or Ag atom loss, respectively, to form the cluster carbonyl AgAu2CO+. In contrast, measurements on a selection of pentamers and hexamers show that CO is added with absolute rate constants that decrease with increasing silver content. Experimentally determined absolute rate constants for CO adsorption were analyzed using the radiative association kinetics model to obtain cluster cation-CO binding energies ranging from 0.77to1.09eV. High-level ab initio density functional theory (DFT) computations identifying the lowest-energy cluster isomers and the respective CO adsorption energies are in good agreement with the experimental findings clearly showing that CO binds in a "head-on" fashion to a gold atom in the mixed clusters. DFT exploration of reaction pathways in the case of Ag2Au2+ suggests that exoergicities are high enough to access the minimum energy products for all reactive clusters probed.
Hu, Shenyang; Setyawan, Wahyu; Van Ginhoven, Renee M.; Jiang, Weilin; Henager, Charles H.; Kurtz, Richard J.
2014-01-01
Density functional theory (DFT) is used to calculate the thermodynamic and kinetic properties of transmutant Mg in 3C–SiC due to high-energy neutron irradiation associated with the fusion nuclear environment. The formation and binding energies of intrinsic defects, Mg-related defects, and clusters in 3C–SiC are systematically calculated. The minimum energy paths and activation energies during point defect migration and small cluster evolution are studied using a generalized solid-state nudged elastic band (G-SSNEB) method with DFT energy calculations. Stable defect structures and possible defect migration mechanisms are identified. The evolution of binding energies during Mg 2 Si formation demonstrates that the formation of Mg 2 Si needs to overcome a critical nucleus size and nucleation barrier. It is found that C vacancies promote the formation of the Mg 2 Si nucleus, and formation of which results in a compressive stress field around the nucleus. These data are important inputs in meso- and macro-scale modeling and experiments to understand and predict the impact of Mg on phase stability, microstructure evolution, and performance of SiC and SiC-based materials during long-term neutron exposures
Selective noble gases monitoring
Janecka, S.; Jancik, O.; Kapisovsky, V.; Kubik, I.; Sevecka, S.
1995-01-01
The monitoring of leak releases from ventilation stack of NPP requires a system by several orders more sensitive then currently used radiometer Kalina, designed to cover the range up to a design-based accident. To reach this goal a noble gases monitor with a germanium detector (MPVG) has been developed. It enables nuclide selective monitoring of current value of volume activity of particular nuclides in ventilation stack and daily releases of noble gases (balancing). MPVG can be viewed as a system build of three levels of subsystem: measuring level; control level; presentation level. Measuring level consists of gamma-spectroscopy system and operational parameters monitoring unit (flow rate, temperature, humidity). Control level provides communication between presentation and measuring level, acquisition of operational parameters and power supply. The presentation level of MPVG enables: 1) the measured data storage in predetermined time intervals; 2) the presentation of measured and evaluated values of radiation characteristics. The monitored radionuclides - default set: argon-41, krypton-85m, krypton-87, krypton-88, krypton-89, xenon-131m, xenon-133, xenon-133m, xenon-135, xenon-135m, xenon-137 and xenon-138. The values of volume activities observed at maximum releases have been approximately ten times higher. In that case in balancing some other nuclides exceed corresponding detection limits: 88 Kr(67; 22) Bq/m 3 ; 85m Kr(17; 7) Bq/m 3 ; 135m Xe(7.1; 0.5) Bq/m 3 ; 138 Xe(5.9; 0.9) Bq/m 3 . (J.K.)
Selective noble gases monitoring
Janecka, S; Jancik, O; Kapisovsky, V; Kubik, I; Sevecka, S [Nuclear Power Plants Research Institute, a.s., Trnava (Slovakia)
1996-12-31
The monitoring of leak releases from ventilation stack of NPP requires a system by several orders more sensitive then currently used radiometer Kalina, designed to cover the range up to a design-based accident. To reach this goal a noble gases monitor with a germanium detector (MPVG) has been developed. It enables nuclide selective monitoring of current value of volume activity of particular nuclides in ventilation stack and daily releases of noble gases (balancing). MPVG can be viewed as a system build of three levels of subsystem: measuring level; control level; presentation level. Measuring level consists of gamma-spectroscopy system and operational parameters monitoring unit (flow rate, temperature, humidity). Control level provides communication between presentation and measuring level, acquisition of operational parameters and power supply. The presentation level of MPVG enables: 1) the measured data storage in predetermined time intervals; 2) the presentation of measured and evaluated values of radiation characteristics. The monitored radionuclides - default set: argon-41, krypton-85m, krypton-87, krypton-88, krypton-89, xenon-131m, xenon-133, xenon-133m, xenon-135, xenon-135m, xenon-137 and xenon-138. The values of volume activities observed at maximum releases have been approximately ten times higher. In that case in balancing some other nuclides exceed corresponding detection limits: {sup 88}Kr(67; 22) Bq/m{sup 3}; {sup 85m}Kr(17; 7) Bq/m{sup 3}; {sup 135m}Xe(7.1; 0.5) Bq/m{sup 3}; {sup 138}Xe(5.9; 0.9) Bq/m{sup 3}. (J.K.).
Tarasov, V.A.; Borikov, T.L.; Kryzhanovskaya, T.V.; Chernezhenko, S.A.; Rusov, V.D.
2007-01-01
The kinetic system for defects of physical nonlinear system 'metal + load + irradiation' is specified [1, 2, 3]. Developing the approaches offered in [4], where distinctions of mechanisms of radiating creep and areas of their applicability are formalized (depending on external parameters) for fuel and constructional metals, division of kinetic systems for defects of constructional and fuel metals is carrying out. Thus the accent on the autocatalytic features of kinetic system for defects of reactor fuel metals, resulting from the exoenergic autocatalytic character of nuclear fission reactions being the main point defect source is done. In this part of the article the basic attention is given to the kinetic of sink drains for point defects. For kinetic systems of sinks-sources new approaches for the task of boundary conditions are offered. The possible structure of the computer program modelling kinetic system for defects of nonlinear physical system 'metal + load + irradiation' is considered
Laloee, F.; Freed, J.H.
1988-01-01
Low-density gases, in which atoms are separated by large distances, have long provided an enjoyable playground for physicists. One might suppose the pleasure of the playground would by now have been exhausted by the very simplicity of low-density gases. Recent work by a number of investigators including the author shows that this is not the case low-density gases continue to serve up a rich variety of phenomena as well as counterintuitive surprises. In particular, the macroscopic properties of a gas composed of individual hydrogen or helium atoms can under special circumstances by changed dramatically by quantum-mechanical effects. According to quantum theory, the nucleus of an atom behaves in a way similar to a rotating top, which has angular momentum about its axis of rotation; that is, the nucleus has spin, known more precisely as spin angular momentum. If the atoms of a gas are spin-polarized, so that their nuclei all have their spins pointing in the same direction, the viscosity of the gas can be changed enormously and so can its ability to conduct heat. Quantum-mechanical correlations among the nuclei called spin waves, which up to now had been observed only in certain liquids and solids such as magnets, can also arise. The changes are large enough for one to say the quantum-mechanical effects have caused the gas to take on entirely new properties. In a certain sense it is amazing to think that polarizing the nuclear spins can have any effect on the macroscopic properties of the gas, since the nuclear spins are son weakly coupled to the outside world. Yet the observations are in full agreement with with theory. Moreover, because spin-polarized gases are still fairly simple systems, they can be understood in terms fundamental principles, something that is still not possible to do in the case of liquids and solids
Thermodynamics of ultracold Fermi gases
Nascimbene, Sylvain
2010-01-01
Complex Hamiltonians from condensed matter, such as the Fermi-Hubbard model, can be experimentally studied using ultracold gases. This thesis describes a new method for determining the equation of state of an ultracold gas, making the comparison with many-body theories straightforward. It is based on the measurement of the local pressure inside a trapped gas from the analysis of its in situ image. We first apply this method to the study of a Fermi gas with resonant interactions, a weakly-interacting 7 Li gas acting as a thermometer. Surprisingly, none of the existing many-body theories of the unitary gas accounts for the equation of state deduced from our study over its full range. The virial expansion extracted from the high-temperature data agrees with the resolution of the three-body problem. At low temperature, we observe, contrary to some previous studies, that the normal phase behaves as a Fermi liquid. Finally we obtain the critical temperature for superfluidity from a clear signature on the equation of state. We also measure the pressure of the ground state as a function of spin imbalance and interaction strength - measure directly relevant to describe the crust of neutron stars. Our data validate Monte-Carlo simulations and quantify the Lee-Huang-Yang corrections to mean-field interactions in low-density fermionic or bosonic superfluids. We show that, in most cases, the partially polarized normal phase can be described as a Fermi liquid of polarons. The polaron effective mass extracted from the equation of state is in agreement with a study of collective modes. (author)
Maggi, F.M.; Riley, W.J.
2009-06-01
The theoretical formulation of biological kinetic reactions in isotopic applications often assume first-order or Michaelis-Menten-Monod kinetics under the quasi-steady-state assumption to simplify the system kinetics. However, isotopic e ects have the same order of magnitude as the potential error introduced by these simpli cations. Both formulations lead to a constant fractionation factor which may yield incorrect estimations of the isotopic effect and a misleading interpretation of the isotopic signature of a reaction. We have analyzed the isotopic signature of denitri cation in biogeochemical soil systems by Menyailo and Hungate [2006], where high {sup 15}N{sub 2}O enrichment during N{sub 2}O production and inverse isotope fractionation during N{sub 2}O consumption could not be explained with first-order kinetics and the Rayleigh equation, or with the quasi-steady-state Michaelis-Menten-Monod kinetics. When the quasi-steady-state assumption was relaxed, transient Michaelis-Menten-Monod kinetics accurately reproduced the observations and aided in interpretation of experimental isotopic signatures. These results may imply a substantial revision in using the Rayleigh equation for interpretation of isotopic signatures and in modeling biological kinetic isotope fractionation with first-order kinetics or quasi-steady-state Michaelis-Menten-Monod kinetics.
Eslava, L.A.
1983-01-01
This thesis is an investigation of two topics in the area of molecular and chemical dynamics phenomena. The first topic, Sensitivity Analysis in Molecular Dynamics and Chemical Kinetics, explores the response of the numerical solutions to variation in the input information. After a brief consideration of elementary sensitivity coefficients (i.e. partial derivatives of observables with respect to model parameters), attention is focused on an entire new family of derived coefficients capable of exhibiting important aspects of the underlying dynamics. Each derived sensitivity coefficient has a unique physical interpretation in terms of an experiment or modeling calculation. Also, a fitting model for rotationally inelastic cross sections that accurately predicts cross sections away from the region of parameter space used in the fitting is presented. The global behavior of cross sections in parameter space is examined, and a nonlinear interpolation formula is suggested which utilizes sensitivity information. The second topic, A Theory of Intramolecular Energy Transfer in the Presence of Intense Radiation Fields, represents a theoretical formulation of energy redistribution based on stochastic considerations. The fundamental assumption is that a random phase approximation is valid at specific time intervals. This results in the replacement of the Schrodinger equation by a master-type equation, which is further approximated by a Fokker-Planck diffusion like equation. Energy transfer is described as a flow of probability among the quantum states, and the dissociation of dynamics are embodied in the boundary conditions. By virtue of the continuous character of the Fokker-Planck equation, the computational difficulty of its numerical solution depends only on the number of degrees of freedom and not on the number of states
Goerigk, Lars; Hansen, Andreas; Bauer, Christoph; Ehrlich, Stephan; Najibi, Asim; Grimme, Stefan
2017-12-13
We present the GMTKN55 benchmark database for general main group thermochemistry, kinetics and noncovalent interactions. Compared to its popular predecessor GMTKN30 [Goerigk and Grimme J. Chem. Theory Comput., 2011, 7, 291], it allows assessment across a larger variety of chemical problems-with 13 new benchmark sets being presented for the first time-and it also provides reference values of significantly higher quality for most sets. GMTKN55 comprises 1505 relative energies based on 2462 single-point calculations and it is accessible to the user community via a dedicated website. Herein, we demonstrate the importance of better reference values, and we re-emphasise the need for London-dispersion corrections in density functional theory (DFT) treatments of thermochemical problems, including Minnesota methods. We assessed 217 variations of dispersion-corrected and -uncorrected density functional approximations, and carried out a detailed analysis of 83 of them to identify robust and reliable approaches. Double-hybrid functionals are the most reliable approaches for thermochemistry and noncovalent interactions, and they should be used whenever technically feasible. These are, in particular, DSD-BLYP-D3(BJ), DSD-PBEP86-D3(BJ), and B2GPPLYP-D3(BJ). The best hybrids are ωB97X-V, M052X-D3(0), and ωB97X-D3, but we also recommend PW6B95-D3(BJ) as the best conventional global hybrid. At the meta-generalised-gradient (meta-GGA) level, the SCAN-D3(BJ) method can be recommended. Other meta-GGAs are outperformed by the GGA functionals revPBE-D3(BJ), B97-D3(BJ), and OLYP-D3(BJ). We note that many popular methods, such as B3LYP, are not part of our recommendations. In fact, with our results we hope to inspire a change in the user community's perception of common DFT methods. We also encourage method developers to use GMTKN55 for cross-validation studies of new methodologies.
Vlad, G.
1988-01-01
The linear stability of the electrostatic drift waves in slab geometry has been studied analytically and numerically. The effects of magnetic field with shear, of the finite Larmor radius, of an electron streaming, of a temperature gradient and of collisions have been retained. The analytical solution has been obtained using the matched asymptotic expansion technique, and an expression for the critical streaming parameter has been derived. Finally, assuming that the transport in the Reversed Field Pinches is dominated by this instability, a scaling law for the temperature in such machine is derived
Chemical kinetics and reaction mechanism
Jung, Ou Sik; Park, Youn Yeol
1996-12-01
This book is about chemical kinetics and reaction mechanism. It consists of eleven chapters, which deal with reaction and reaction speed on reaction mechanism, simple reaction by rate expression, reversible reaction and simultaneous reaction, successive reaction, complicated reaction mechanism, assumption for reaction mechanism, transition state theory, successive reaction and oscillating reaction, reaction by solution, research method high except kinetics on reaction mechanism, high reaction of kinetics like pulsed radiolysis.
Chemical kinetics of gas reactions
Kondrat'Ev, V N
2013-01-01
Chemical Kinetics of Gas Reactions explores the advances in gas kinetics and thermal, photochemical, electrical discharge, and radiation chemical reactions. This book is composed of 10 chapters, and begins with the presentation of general kinetic rules for simple and complex chemical reactions. The next chapters deal with the experimental methods for evaluating chemical reaction mechanisms and some theories of elementary chemical processes. These topics are followed by discussions on certain class of chemical reactions, including unimolecular, bimolecular, and termolecular reactions. The rema
Quantum gases finite temperature and non-equilibrium dynamics
Szymanska, Marzena; Davis, Matthew; Gardiner, Simon
2013-01-01
The 1995 observation of Bose-Einstein condensation in dilute atomic vapours spawned the field of ultracold, degenerate quantum gases. Unprecedented developments in experimental design and precision control have led to quantum gases becoming the preferred playground for designer quantum many-body systems. This self-contained volume provides a broad overview of the principal theoretical techniques applied to non-equilibrium and finite temperature quantum gases. Covering Bose-Einstein condensates, degenerate Fermi gases, and the more recently realised exciton-polariton condensates, it fills a gap by linking between different methods with origins in condensed matter physics, quantum field theory, quantum optics, atomic physics, and statistical mechanics. Thematically organised chapters on different methodologies, contributed by key researchers using a unified notation, provide the first integrated view of the relative merits of individual approaches, aided by pertinent introductory chapters and the guidance of ed...
Positron scattering from noble gases future prospects
Jones, A C L; Caradonna, P; Makochekanwa, C; Slaughter, D S; Sullivan, J P; Buckman, S J [Centre for Antimatter-Matter Studies, Research School of Physics and Engineering, Australian National University, Canberra, ACT (Australia); Mitroy, J, E-mail: acj107@rsphysse.anu.edu.a [Faculty of Education Health and Science, Charles Darwin University, NT (Australia)
2009-11-01
Recent results for positron scattering from noble gases over an energy range from 0.5 to 60eV are presented. Measurements include the grand total ({sigma}{sub GT}), Ps formation ({sigma}{sub Ps}) and Grand total - Ps formation (({sigma}{sub GT}-P{sub s}) cross sections. Some preliminary DCS results will also be presented. Work on a formulation of modified effective range theory (MERT) is being undertaken to determine the value of the scattering length which may be useful for identifying a bound state. Plans for experiments on metal atoms will be outlined.
Extended Thermodynamics: a Theory of Symmetric Hyperbolic Field Equations
Müller, Ingo
2008-12-01
Extended thermodynamics is based on a set of equations of balance which are supplemented by local and instantaneous constitutive equations so that the field equations are quasi-linear first order differential equations. If the constitutive functions are subject to the requirements of the entropy principle, one may write them in symmetric hyperbolic form by a suitable choice of fields. The kinetic theory of gases, or the moment theories based on the Boltzmann equation provide an explicit example for extended thermodynamics. The theory proves its usefulness and practicality in the successful treatment of light scattering in rarefied gases. This presentation is based upon the book [1] of which the author of this paper is a co-author. For more details about the motivation and exploitation of the basic principles the interested reader is referred to that reference. It would seem that extended thermodynamics is worthy of the attention of mathematicians. It may offer them a non-trivial field of study concerning hyperbolic equations, if ever they get tired of the Burgers equation. Physicists may prefer to appreciate the success of extended thermodynamics in light scattering and to work on the open problems concerning the modification of the Navier-Stokes-Fourier theory in rarefied gases as predicted by extended thermodynamics of 13, 14, and more moments.
A New Perspective on Classical Ideal Gases
Fabrice Philippe
2013-08-01
Full Text Available The ideal-gas barometric and pressure laws are derived from the Democritian concept of independent corpuscles moving in vacuum, plus a principle of simplicity, namely that these laws are independent of the kinetic part of the Hamiltonian. A single corpuscle in contact with a heat bath in a cylinder and submitted to a constant force (weight is considered. The paper importantly supplements a previously published paper: First, the stability of ideal gases is established. Second, we show that when walls separate the cylinder into parts and are later removed, the entropy is unaffected. We obtain full agreement with Landsberg’s and others’ (1994 classical thermodynamic result for the entropy of a column of gas submitted to gravity.
Economic Hazardous Gases Management for SOX Removal from Flue Gases
Isaack, S.L.; Mohi, M.A.; Mohamed, S.T.
1995-01-01
Hazardous gases emerging from industries accumulate as pollutants in air and falls as acid rains resulting also in water and soil pollution. To minimize environmental pollution, the present process is suggested in order to desulfurize flue gases resulting from burning fuel oil in a 100/MWh steam power plant. The process makes use of the cheap Ca C O 3 powder as the alkaline material to sequistre the sulphur oxide gases. The resulting sulphur compounds, namely calcium sulphate and gypsum have a great market demand as reducing and sulphiting agents in paper industry and as an important building material. About 44000 ton of gypsum could be produced yearly when treating flue gases resulting from a 100 MWh unit burning fuel oil. Feasibility study shows that a great return on investment could be achieved when applying the process. 1 fig
Dipolar quantum gases of erbium
Frisch, A.
2014-01-01
. The corresponding elastic cross section predicted by the theory of universal dipolar scattering scales only with the particle's mass and its magnetic moment and is temperature independent. This represents a dramatic difference compared to non-dipolar fermions, which exhibit a rapidly vanishing elastic cross section at lower temperatures. Another distinctive feature of erbium is its spectrum of Feshbach resonances. Using bosonic erbium we observed an enormous density of resonances exceeding that of alkali metals by at least a factor of ten. We statistically analyzed the spectrum in terms of the random matrix theory and demonstrated that the resonances bare a strong correlation to each other. We identify the origin of this correlation in the highly anisotropic van der Waals interaction potential of erbium. This is a phenomenon not previously encountered in ultracold quantum gases. At the many-body level we observed the d-wave collapse of the Bose-Einstein condensate as previously observed in the chromium experiment in Stuttgart. With the dipolar Fermi gas we demonstrated that the Fermi surface deforms into an ellipsoid induced by the action of the dipole-dipole interaction in momentum space. (author) [de
Noble gases solubility in water
Crovetto, Rosa; Fernandez Prini, Roberto.
1980-07-01
The available experimental data of solubility of noble gases in water for temperatures smaller than 330 0 C have been critically surveyed. Due to the unique structure of the solvent, the solubility of noble gases in water decreases with temperature passing through a temperature of minimum solubility which is different for each gas, and then increases at higher temperatures. As aresult of the analysis of the experimental data and of the features of the solute-solvent interaction, a generalized equation is proposed which enables thecalculation of Henry's coefficient at different temperatures for all noble gases. (author) [es
Kipriyanov, Alexey A; Doktorov, Alexander B
2014-10-14
The analysis of general (matrix) kinetic equations for the mean survival probabilities of any of the species in a sample (or mean concentrations) has been made for a wide class of the multistage geminate reactions of the isolated pairs. These kinetic equations (obtained in the frame of the kinetic approach based on the concept of "effective" particles in Paper I) take into account various possible elementary reactions (stages of a multistage reaction) excluding monomolecular, but including physical and chemical processes of the change in internal quantum states carried out with the isolated pairs of reactants (or isolated reactants). The general basic principles of total and detailed balance have been established. The behavior of the reacting system has been considered on macroscopic time scales, and the universal long-term kinetics has been determined.
Theory of the spontaneous condensation of steam during expansion
Kleitz, Alain
1978-01-01
When steam expands in a nozzle or turbine, it cools and, at a certain pressure level, the saturation limit is exceeded. The appearance of moisture does not comply with the simple laws of thermodynamic balance. The liquid phase appears only as from a certain sub-cooling of the steam, at which stage it forms suddenly as a finely dispersed mist. On the basis of the kinetic theory of gases and the critical radius concept, Oswatitch produced a theory on spontaneous condensation which was checked by tests in nozzles. On the other hand, this theory does not fully explain that which is observed in turbines or manifolds fed with fluids other than steam. Modifications have been made to the conventional theory in an endeavour to corroborate the experimental results [fr
Noble gases recycled into the mantle through cold subduction zones
Smye, Andrew J.; Jackson, Colin R. M.; Konrad-Schmolke, Matthias; Hesse, Marc A.; Parman, Steve W.; Shuster, David L.; Ballentine, Chris J.
2017-08-01
Subduction of hydrous and carbonated oceanic lithosphere replenishes the mantle volatile inventory. Substantial uncertainties exist on the magnitudes of the recycled volatile fluxes and it is unclear whether Earth surface reservoirs are undergoing net-loss or net-gain of H2O and CO2. Here, we use noble gases as tracers for deep volatile cycling. Specifically, we construct and apply a kinetic model to estimate the effect of subduction zone metamorphism on the elemental composition of noble gases in amphibole - a common constituent of altered oceanic crust. We show that progressive dehydration of the slab leads to the extraction of noble gases, linking noble gas recycling to H2O. Noble gases are strongly fractionated within hot subduction zones, whereas minimal fractionation occurs along colder subduction geotherms. In the context of our modelling, this implies that the mantle heavy noble gas inventory is dominated by the injection of noble gases through cold subduction zones. For cold subduction zones, we estimate a present-day bulk recycling efficiency, past the depth of amphibole breakdown, of 5-35% and 60-80% for 36Ar and H2O bound within oceanic crust, respectively. Given that hotter subduction dominates over geologic history, this result highlights the importance of cooler subduction zones in regassing the mantle and in affecting the modern volatile budget of Earth's interior.
Quotation systems for greenhouse gases
Trong, Maj Dang
2000-01-01
The article surveys recommendations from a Norwegian committee for implementing at a national level, the Kyoto protocol aims for reducing the total emissions of greenhouse gases from the industrial countries through quotation systems
Askerov, Bahram M
2010-01-01
This book deals with theoretical thermodynamics and the statistical physics of electron and particle gases. While treating the laws of thermodynamics from both classical and quantum theoretical viewpoints, it posits that the basis of the statistical theory of macroscopic properties of a system is the microcanonical distribution of isolated systems, from which all canonical distributions stem. To calculate the free energy, the Gibbs method is applied to ideal and non-ideal gases, and also to a crystalline solid. Considerable attention is paid to the Fermi-Dirac and Bose-Einstein quantum statistics and its application to different quantum gases, and electron gas in both metals and semiconductors is considered in a nonequilibrium state. A separate chapter treats the statistical theory of thermodynamic properties of an electron gas in a quantizing magnetic field.
Greenhouse gases and global warming
1995-01-01
From previous articles we have learned about the complexities of our environment, its atmosphere and its climate system. we have also learned that climate change and, therefore global warm and cool periods are naturally occurring phenomena. Moreover, all scientific evidence suggests that global warming, are likely to occur again naturally in the future. However, we have not yet considered the role of the rates of climate change in affecting the biosphere. It appears that how quickly the climate changes may be more important than the change itself. In light of this concern, let us now consider the possibility that, is due to human activity. We may over the next century experience global warming at rates and magnitudes unparalleled in recent geologic history. The following questions are answered; What can we learn from past climates? What do we know about global climates over the past 100 years? What causes temperature change? What are the greenhouse gases? How much have concentration of greenhouse gases increased in recent years? Why are increases in concentrations of greenhouse of concern? What is the e nhanced greenhouse effect ? How can human activity impact the global climate? What are some reasons for increased concentrations of greenhouse gases? What are fossil fuel and how do they transform into greenhouse gases? Who are the biggest emitters of greenhouse gases? Why are canada per capita emissions of greenhouse gases relatively high? (Author)
Dzik, Walter H
2011-04-01
Three vital respiratory gases-oxygen (O(2)), nitric oxide (NO), and carbon dioxide (CO(2))-intersect at the level of the human red blood cell (RBC). In addition to hemoglobin (Hb)'s central role in O(2) transport, interaction of Hb with the Band 3 metabolon balances RBC energy flow. 2,3-Diphosphoglycerate enhances O(2) transport across the placenta and plays an important role in regulating RBC plasticity. NO is a key mediator of hypoxic vasodilation, but the precise role of RBC Hb remains controversial. In addition to established theories that depend on RBC uptake, delivery, and discharge of NO or its metabolites, an alternative hypothesis based on RBC permeability is suggested. NO depletion by free Hb may account for several clinical features seen during intravascular hemolysis or during deliberate infusion of Hb solutions used as RBC substitutes. CO(2) released by tissues triggers oxygen release through a series of well-coordinated reactions centered on the Band 3 metabolon. While RBC carbonic anhydrase and the Band 3 anion exchanger are central to this process, there is surprisingly little research on the kinetics of CO(2) clearance by transfusion. The three RBC gases are directly related to the three principal gases of Earth's atmosphere. Human fossil fuel consumption dumps 90 million metric tons of carbon into the atmosphere annually. Increasing CO(2) levels are linked to global warming, melting Arctic ice, rising sea levels, and climate instability. Just as individual cells depend on balance of the three vital gases, so too will their balance determine survival of life on Earth. © 2011 American Association of Blood Banks.
From ultracold Fermi Gases to Neutron Stars
Salomon, Christophe
2012-02-01
Ultracold dilute atomic gases can be considered as model systems to address some pending problem in Many-Body physics that occur in condensed matter systems, nuclear physics, and astrophysics. We have developed a general method to probe with high precision the thermodynamics of locally homogeneous ultracold Bose and Fermi gases [1,2,3]. This method allows stringent tests of recent many-body theories. For attractive spin 1/2 fermions with tunable interaction (^6Li), we will show that the gas thermodynamic properties can continuously change from those of weakly interacting Cooper pairs described by Bardeen-Cooper-Schrieffer theory to those of strongly bound molecules undergoing Bose-Einstein condensation. First, we focus on the finite-temperature Equation of State (EoS) of the unpolarized unitary gas. Surprisingly, the low-temperature properties of the strongly interacting normal phase are well described by Fermi liquid theory [3] and we localize the superfluid phase transition. A detailed comparison with theories including recent Monte-Carlo calculations will be presented. Moving away from the unitary gas, the Lee-Huang-Yang and Lee-Yang beyond-mean-field corrections for low density bosonic and fermionic superfluids are quantitatively measured for the first time. Despite orders of magnitude difference in density and temperature, our equation of state can be used to describe low density neutron matter such as the outer shell of neutron stars. [4pt] [1] S. Nascimbène, N. Navon, K. Jiang, F. Chevy, and C. Salomon, Nature 463, 1057 (2010) [0pt] [2] N. Navon, S. Nascimbène, F. Chevy, and C. Salomon, Science 328, 729 (2010) [0pt] [3] S. Nascimbène, N. Navon, S. Pilati, F. Chevy, S. Giorgini, A. Georges, and C. Salomon, Phys. Rev. Lett. 106, 215303 (2011)
Salmon, Jean
1955-03-02
The first part of this research thesis addresses the theory of high frequency discharge in gases under low pressures, and first proposes a calculation of the distribution function for electrons present within the gas. The author then studies the evolution of electron density within a discharge tube by assigning the governing role in electron multiplication to the secondary emission of tube walls. The second part proposes a detailed description of a source operating at 96.5 Mc/s, a discussion of measurements performed on this source, and the search for a theoretical explanation of some of its properties. The author then briefly analyses various existing types of high frequency sources, and finally discusses their use in corpuscular microscopy and in particle accelerators [French] La presente these comprend deux parties. La premiere est consacree a la theorie de la decharge haute frequence dans les gaz aux faibles pressions et comporte tout d'abord le calcul de la fonction de distribution des electrons presents au sein du gaz. Nous etudions ensuite l'evolution de la densite electronique a l'interieur d'un tube a decharge en attribuant, a l'emission secondaire des parois de ce dernier, le role essentiel dans la multiplicalion des electrons. Nous obtenons ainsi les conditions d'amorcage. Tout au long de cette etude, on doit distinguer soigneusement le cas ou le libre parcours moyen des electrons dans le gaz est inferieur aux dimensions de l'enceinte et le cas ou il leur est superieur. La deuxieme partie comprend la description detaillee d'une source fonctionnant sur 96.5 Mc/s, l'expose des mesures effectuees sur celle-ci et la recherche d'une explication theorique de certaines de ses proprietes. Nous faisons ensuite une breve analyse des divers types de sources d'ions haute frequence existant a l'heure actuelle et nous terminons en traitant de leur utilisation en microscopie corpusculaire et dans les accelerateurs de particules.
Quantum Fluctuations of Vortex Lattices in Ultracold Gases
Kwasigroch, M. P.; Cooper, N. R.
2012-01-01
We discuss the effects of quantum fluctuations on the properties of vortex lattices in rapidly rotating ultracold atomic gases. We develop a variational method that goes beyond the Bogoliubov theory by including the effects of interactions between the quasiparticle excitations. These interactions are found to have significant quantitative effects on physical properties even at relatively large filling factors. We use our theory to predict the expected experimental signatures of quantum fluctu...
Chang, Tsun-Mei [Department of Chemistry, University of Wisconsin–Parkside, Kenosha, Wisconsin 53141, USA; Dang, Liem X. [Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 93352, USA
2017-10-28
Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ethylene carbonate (EC) exchange process between the first and second solvation shells around Li+ and the dissociation kinetics of ion pairs Li+-[BF4] and Li+-[PF6] in this solvent. We calculate the exchange rates using transition state theory and correct them with transmission coefficients computed by the reactive flux; Impey, Madden, and McDonald approaches; and Grote-Hynes theory. We found the residence times of EC around Li+ ions varied from 70 to 450 ps, depending on the correction method used. We found the relaxation times changed significantly from Li+-[BF4] to Li+-[PF6] ion pairs in EC. Our results also show that, in addition to affecting the free energy of dissociation in EC, the anion type also significantly influence the dissociation kinetics of ion pairing. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.
Swart, C.A.M. de.
1983-01-01
The author has studied the kinetics of heparin and heparin fractions after intravenous administration in humans and in this thesis the results of this study are reported. Basic knowledge about the physico-chemical properties of heparin and its interactions with proteins resulting in anticoagulant and lipolytic effects are discussed in a review (chapter II), which also comprises some clinical aspects of heparin therapy. In chapter III the kinetics of the anticoagulant effect are described after intravenous administration of five commercial heparin preparations. A mathematical model is presented that fits best to these kinetics. The kinetics of the anticoagulant and lipolytic effects after intravenous injection of various 35 S-radiolabelled heparin fractions and their relationship with the disappearance of the radiolabel are described in chapter IV. Chapter V gives a description of the kinetics of two radiolabels after injection of in vitro formed complexes consisting of purified, 125 I-radiolabelled antithrombin III and various 35 S-radiolabelled heparin fractions. (Auth.)
Radioactive gases monitor system: tritium, radon, noble gases
Egey, J.Z.; Matatagui, E.
2015-01-01
A system for monitoring the radioactive gases tritium, radon and noble gases is described. We present the description of the sensor and the associated electronics that have been developed to monitor the presence of radioactive gases in air or other gaseous effluents. The system has a high sensitivity and a wide range of operation. The sensor is an ionization chamber, featuring the internal circulation of the gas to monitor and the associated electronics has a resolution better than 10 E-15A (fA). It allows the detection of the individual pulses that are produced during the alpha decay of radon and its daughter elements. The measurement system is made up of a commercial data acquisition system connected to a computer. The acquired data is presented on a graphical display and it is stored for later processing and analysis. We have a system that is of simple construction and versatile. Here we present the experimental results. (authors) [es
Kinetics of carbon dioxide during cardiopulmonary resuscitation
Wiklund, L; Söderberg, D; Henneberg, S
1986-01-01
CO2 kinetics during CPR was investigated in 15 anesthetized piglets. BP, blood gases, and acid-base balance were monitored through catheters in the carotid artery and a central vein, as well as in cerebrospinal fluid. Cardiac arrest was induced by a transthoracic direct current shock. CPR was beg...
Erosion of volatile elemental condensed gases by keV electron and light-ion bombardment
Schou, J.
1991-11-01
Erosion of the most volatile elemental gases by keV electron and light-ion bombardment has been studied at the experimental setup at Risoe. The present work includes frozen neon, argon, krypton, nitrogen, oxygen and three hydrogen isotopes, deuterium, hydrogen deuteride and hydrogen. The yield of these condensed gases has been measured as a function of film thickness and primary energy for almost all combinations of primary particles (1-3 keV electrons, 5-10 keV hydrogen- and helium ions) and ices. These and other existing results show that there are substantial common features for the sputtering of frozen elemental gases. Within the two groups, the solid rare gases and the solid molecular gases, the similarity is striking. The hydrogenic solids deviate in some respects from the other elements. The processes that liberate kinetic energy for the particle ejection in sputtering are characteristic of the specific gas. (au) 3 tabs., 12 ills., 159 refs
On the relativistic partition function of ideal gases
Sinyukov, Yu.M.
1983-01-01
The covariant partition function method for ideal Boltzmann and Bose gases is developed within quantum field theory. This method is a basis to describe the statistical and thermodynamical properties of the gases in canonical, grand canonical and pressure ensembles in an arbitrary inertial system. It is shown that when statistical systems are described relativistically it is very important to take into account the boundary conditions. This is due to the fact that an equilibrium system is not closed mechanically. The results may find application in hadron physics. (orig.)
Desulphurization of exhaust gases in chemical processes
Asperger, K.; Wischnewski, W.
1981-01-01
The sulfur content of exhaust gases can be reduced by: desulphurization of fuels; modification of processes; or treatment of resultant gases. In this paper a few selected examples from the chemical industry in the German Democratic Republic are presented. Using modified processes and treating the resultant gases, the sulphuric content of exhaust gases is effectively reduced. Methods to reduce the sulfur content of exhaust gases are described in the field of production of: sulphuric acid; viscose; fertilizers; and paraffin.
Process for separating radioactive gases
Kimura, Shigeru; Awada, Yoshihisa.
1976-01-01
Object: To efficiently and safely separate and recover raw gases such as krypton which requires radioactive attenuation by a long term storage. Structure: A mixture of krypton and xenon is separated by liquefaction from raw gases at a first distillation column, using latent heat of liquid nitrogen. The krypton and xenon mixture separated by liquefaction at the first distillation column is separated into krypton and xenon, by controlling operation pressure of a second distillation column at about 3 - 5 atm., using sensible heat of low temperature nitrogen gas discharged from a top of the first distillation column and a condenser. (Aizawa, K.)
Mrowczynski, St.
1984-01-01
The formalism of statistical mechanics of particles slower than light has been considered from the point of view of the application of this formalism for the description of tachyons. Properties of ideal gases of tachyons have been discussed in detail. After finding general formulae for quantum, Bose and Fermi gases the classical limit has been considered. It has been shown that Bose-Einstein condensation occurs. The tachyon gas of bosons violates the third principle of thermodynamics. Degenerated Fermi gas has been considered and in this case the entropy vanishes at zero temperature. Difficulties of formulating covariant statistical mechanics have been discussed
Omran, Ahmed
2016-01-01
This thesis reports on a novel quantum gas microscope to investigate many-body systems of fermionic atoms in optical lattices. Single-site resolved imaging of ultracold lattice gases has enabled powerful studies of bosonic quantum many-body systems. The extension of this capability to Fermi gases offers new prospects to studying complex phenomena of strongly correlated systems, for which numerical simulations are often out of reach. Using standard techniques of laser cooling, optical trapping, and evaporative cooling, ultracold Fermi gases of 6 Li are prepared and loaded into a large-scale 2D optical lattice of flexible geometry. The atomic distribution is frozen using a second, short-scaled lattice, where we perform Raman sideband cooling to induce fluorescence on each atom while maintaining its position. Together with high-resolution imaging, the fluorescence signals allow for reconstructing the initial atom distribution with single-site sensitivity and high fidelity. Magnetically driven evaporative cooling in the plane allows for producing degenerate Fermi gases with almost unity filling in the initial lattice, allowing for the first microscopic studies of ultracold gases with clear signatures of Fermi statistics. By preparing an ensemble of spin-polarised Fermi gases, we detect a flattening of the density profile towards the centre of the cloud, which is a characteristic of a band-insulating state. In one set of experiments, we demonstrate that losses of atom pairs on a single lattice site due to light-assisted collisions are circumvented. The oversampling of the second lattice allows for deterministic separation of the atom pairs into different sites. Compressing a high-density sample in a trap before loading into the lattice leads to many double occupancies of atoms populating different bands, which we can image with no evidence for pairwise losses. We therefore gain direct access to the true number statistics on each lattice site. Using this feature, we can
2009-01-01
A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises.......A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises....
Gerasimov, G.Ya.; Gerasimova, T.S.; Tokmacheva, I.P.; Fadeev, S.A.; Faminskaya, M.V.
1991-01-01
Problem related to numerical simulation of kinetic processes occuring in waste flue gases of heat and power plants when they are treated by fast electrons are considered. The system of gas-phase chemical reactions describing kinetics of NO transformation in the presence of ammonia was studied. Different groups of reactions resulting in SO 2 oxidation were analyzed. Results of the calculations are compared with experimental data
Stratospheric aerosols and precursor gases
1982-01-01
Measurements were made of the aerosol size, height and geographical distribution, their composition and optical properties, and their temporal variation with season and following large volcanic eruptions. Sulfur-bearing gases were measured in situ in the stratosphere, and studied of the chemical and physical processes which control gas-to-particle conversion were carried out in the laboratory.
Permeability of cork to gases.
Faria, David P; Fonseca, Ana L; Pereira, Helen; Teodoro, Orlando M N D
2011-04-27
The permeability of gases through uncompressed cork was investigated. More than 100 samples were assessed from different plank qualities to provide a picture of the permeability distribution. A novel technique based on a mass spectrometer leak detector was used to directly measure the helium flow through the central area of small disks 10 mm in diameter and 2 mm thick. The permeability for nitrogen, oxygen, and other gases was measured by the pressure rise technique. Boiled and nonboiled cork samples from different sections were evaluated. An asymmetric frequency distribution ranging 3 orders of magnitude (roughly from 1 to 1000 μmol/(cm·atm·day)) for selected samples without macroscopic defects was found, having a peak below 100 μmol/(cm·atm·day). Correlation was found between density and permeability: higher density samples tend to show lower permeability. However, boiled cork showed a mean lower permeability despite having a lower density. The transport mechanism of gases through cork was also examined. Calculations suggest that gases permeate uncompressed cork mainly through small channels between cells under a molecular flow regime. The diameter of such channels was estimated to be in the range of 100 nm, in agreement with the plasmodesmata size in the cork cell walls.
Ertaş, Mehmet; Keskin, Mustafa; Deviren, Bayram
2012-01-01
Using an effective field theory with correlations, we study a kinetic spin-5/2 Blume–Capel model with bilinear exchange interaction and single-ion crystal field on a square lattice. The effective-field dynamic equation is derived by employing the Glauber transition rates. First, the phases in the kinetic system are obtained by solving this dynamic equation. Then, the thermal behavior of the dynamic magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. Finally, we present the phase diagrams in two planes, namely (T/zJ, h 0 /zJ) and (T/zJ, D/zJ), where T absolute temperature, h 0 , the amplitude of the oscillating field, D, crystal field interaction or single-ion anisotropy constant and z denotes the nearest-neighbor sites of the central site. The phase diagrams exhibit four fundamental phases and ten mixed phases which are composed of binary, ternary and tetrad combination of fundamental phases, depending on the crystal field interaction parameter. Moreover, the phase diagrams contain a dynamic tricritical point (T), a double critical end point (B), a multicritical point (A) and zero-temperature critical point (Z). - Highlights: ► The effective-field theory is used to study the kinetic spin-5/2 Ising Blume–Capel model. ► Time variations of average order parameter have been studied to find phases in the system. ► The dynamic magnetization, hysteresis loop area and correlation have been calculated. ► The dynamic phase boundaries of the system depend on D/zJ. ► The dynamic phase diagrams are presented in the (T/zJ, h 0 /zJ) and (D/zJ, T/zJ) planes.
Ertas, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Department of Physics, Nevsehir University, 50300 Nevsehir (Turkey)
2012-04-15
Using an effective field theory with correlations, we study a kinetic spin-5/2 Blume-Capel model with bilinear exchange interaction and single-ion crystal field on a square lattice. The effective-field dynamic equation is derived by employing the Glauber transition rates. First, the phases in the kinetic system are obtained by solving this dynamic equation. Then, the thermal behavior of the dynamic magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. Finally, we present the phase diagrams in two planes, namely (T/zJ, h{sub 0}/zJ) and (T/zJ, D/zJ), where T absolute temperature, h{sub 0}, the amplitude of the oscillating field, D, crystal field interaction or single-ion anisotropy constant and z denotes the nearest-neighbor sites of the central site. The phase diagrams exhibit four fundamental phases and ten mixed phases which are composed of binary, ternary and tetrad combination of fundamental phases, depending on the crystal field interaction parameter. Moreover, the phase diagrams contain a dynamic tricritical point (T), a double critical end point (B), a multicritical point (A) and zero-temperature critical point (Z). - Highlights: Black-Right-Pointing-Pointer The effective-field theory is used to study the kinetic spin-5/2 Ising Blume-Capel model. Black-Right-Pointing-Pointer Time variations of average order parameter have been studied to find phases in the system. Black-Right-Pointing-Pointer The dynamic magnetization, hysteresis loop area and correlation have been calculated. Black-Right-Pointing-Pointer The dynamic phase boundaries of the system depend on D/zJ. Black-Right-Pointing-Pointer The dynamic phase diagrams are presented in the (T/zJ, h{sub 0}/zJ) and (D/zJ, T/zJ) planes.
Ai Hongtao
1989-01-01
An isothermal equation for ion exchange-adsorption is derived by mass action law. The equation can be used to sum up empirical and semiempirical formulas of the exchange adsorption, such as Gapon Equation, Sips Formula, Langmuir Equation and Freundlich Formula. In this paper, by adopting the ion exchange reaction to act as the determining step of the ion exchange adsorption kinetics, and exchange-adsorption kinetics equation is derived. It is verified by he results of a series of experiments in which uranium is extracted form enriched sea-water and natural sea-water with hydrous titanium oxide (titanic gel). This equation can be used to explain not only the results of test which have been applied to prove fast intraparticle diffusion of liquid film deffusion mechanism, but also test data which can be expalined by the co-controlling fast intraparticle and liquid film diffusion, and the kinetic data which can not be clarified by diffusion mechanism. It is proposed that the mechanism of the exchange adsorption of uranium from sea-water with titanic gel is a cationic exchange reaction. A method for calculating the quantity of exchange-adsorption at equilibrium is also given
Kinetic effects on magnetohydrodynamic phenomena
Naito, Hiroshi; Matsumoto, Taro
2001-01-01
Resistive and ideal magnetohydrodynamic (MHD) theories are insufficient to adequately explain MHD phenomena in the high-temperature plasma. Recent progress in numerical simulations concerning kinetic effects on magnetohydrodynamic phenomena is summarized. The following three topics are studied using various models treating extended-MHD phenomena. (1) Kinetic modifications of internal kink modes in tokamaks with normal and reversed magnetic shear configurations. (2) Temporal evolution of the toroidal Alfven eigenmode and fishbone mode in tokamaks with energetic ions. (3) Kinetic stabilization of a title mode in field-reversed configurations by means of anchoring ions and beam ions. (author)
Mojtaba Ahmadi
2016-11-01
Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.
Study of reaction between water and exhaust gases from diesel engines used in underground mining
Mazukhina, S.I.; Kalabin, G.V.; Romanov, V.S.
1988-05-01
A method of mathematical simulation, based on the principle of local equilibrium of the kinetic components, was proposed for formulating and solving problems related to the combustion of fuel and the treatment of exhaust gases from a diesel engine in underground workings. Results of a study of the effects of exhaust gas quantity and composition on the reaction between the gases and water are presented. It is shown that the kinetic model correlates well with the equilibrium model, adequately describes the process, and gives a reliable picture of the changes over a period of time. The proposed method can be used to study the gas emission with different fuel mixtures and liquid neutralizing agents with a view to reducing the toxicity of diesel-engine exhaust gases.
Peters, A.M.; Lavender, J.P.; Saverymuttu, S.H.
1985-01-01
By using density gradient materials enriched with autologous plasma, the authors have been able to isolate granulocutes from other cellular elements and label them with In-111 without separation from a plasma environment. The kinetic behavior of these cells suggests that phenomena attributed to granulocyte activation are greatly reduced by this labeling. Here, they review their study of granulocyte kinetics in health and disease in hope of quantifying sites of margination and identifying principal sites of destruction. The three principle headings of the paper are distribution, life-span, and destruction
Thermodesorption of gases from various vacuum materials
Beavis, L.C.
1979-06-01
A number of materials are commonly used as vacuum system walls. The desorption of gases from these materials may contribute significantly to the internal pressure of an unpumped device or to the gas load which a pump must handle in a dynamic system. This report describes the thermodesorption measurements made on a number of metals (molybdenum, nickel, Kovar alloy, copper, copper-2% beryllium alloy) and two insulators (molybdenum sealing glass ceramic and high alumina ceramic). All of the materials after typical cleaning and air exposure contain considerable gas. With a long 400 0 to 500 0 vacuum bake, however, all can be cleaned sufficiently so that they will not contribute appreciable gas to their surrounding when vacuum stored at room temperature for many years. Most materials display desorption kinetics which are first order (a single bond or trap energy must be overcome for desorption). It appears that the desorption of CO from Kovar is rate limited by carbon diffusion (D 0 approx. = .4 cm 2 /s and E/sub d/ approx. = 27,000 cal/mol). The desorption of hydrogen from glass ceramic also appears to be diffusion rate limited (D 0 approx. = 1 x 10 -3 cm 2 /s and E/sub d/ approx. = 11,000 cal/mol). Carbon monoxide is the major gas desorbed from metals, except copper for which hydrogen is the major desorbing species. The insulators desorb hydrogen primarily
Noble Gases in Lakes and Ground Waters
Kipfer, Rolf; Aeschbach-Hertig, Werner; Peeters, Frank; Stute, Marvin
2002-01-01
In contrast to most other fields of noble gas geochemistry that mostly regard atmospheric noble gases as 'contamination,' air-derived noble gases make up the far largest and hence most important contribution to the noble gas abundance in meteoric waters, such as lakes and ground waters. Atmospheric noble gases enter the meteoric water cycle by gas partitioning during air / water exchange with the atmosphere. In lakes and oceans noble gases are exchanged with the free atmosphere at the surface...
Centrifugal separation of mixture gases
Zhou, M.S.; Chen, W.N.; Yin, Y.T.
2008-01-01
An attempt for single centrifugal separation of mixtures with different molecular formula was presented in this paper. The mixtures of SF 6 and CCl 3 F, and SF 6 and CCl 4 were chosen as the processing gases, which were prepared in three mass ratios, 0.5, 0.8 and 0.2, respectively. The separating characteristics such as the overall separation factors and the variation of cuts were studied. (author)
Positron and positronium physics in atomic and molecular gases: challenges for the 21. century
Gianturco, F.A. [Rome Univ., Dipt. of Chemistry, INFM (Italy)
2002-12-01
The increase in the interest of the scientific community in positrons as a research tool follows the development of low-energy positron beams. Preliminary studies have shown that correlation forces between the impinging positron and the bound electrons, either atomic or molecular, are much more important than the same effects in electron collisions. New experimental techniques which exploit positron accumulators have markedly increased our capabilities for investigating positron and positronium (Ps) interactions with matter at very low energies: they work already in the meV range and expectations to reach the {mu}eV are real. The elastic channels and the annihilation channels are always open as the kinetic energy of the probe approaches zero. Ps formation could also be energetically allowed whenever the target ionization energy is below 6,8 eV, the binding energy of the ground state Ps. One of the puzzling questions is to find experimental evidence on the existence of bound states or of metastable resonant states associated to cold positrons and Ps that are made to interact with fairly cold atomic and molecular gases. Experiments on anti-hydrogen are being performed in order to test the CPT invariance of quantum field theory as well as Einstein's equivalence principle (ATHENA experiment). Antiparticles are also considered as possible candidates for the production of Bose Einstein condensation of bosonic Ps by studying the possibility of creating a dense gas of Ps particles within some solid state material. Other experiments involving slow positrons interacting with polyatomic gases have shown that the measured annihilation rate is a linear function of the test gas pressure and the slope linearity yields the value of the rate. (A.C.)
Landfill gases and some effects on vegetation
Franklin B. Flower; Ida A. Leone; Edward F. Gilman; John J. Arthur
1977-01-01
Gases moving from refuse landfills through soil were studied in New Jersey. The gases, products of anaerobic decomposition of organic matter in the refuse, caused injury and death of peach trees, ornamentals, and commercial farm crops, and create possible hazards to life and property because of the entrance of combustible gases into residences. Remedial measures are...
Farazdaghi, Hadi
2011-02-01
Photosynthesis is the origin of oxygenic life on the planet, and its models are the core of all models of plant biology, agriculture, environmental quality and global climate change. A theory is presented here, based on single process biochemical reactions of Rubisco, recognizing that: In the light, Rubisco activase helps separate Rubisco from the stored ribulose-1,5-bisphosphate (RuBP), activates Rubisco with carbamylation and addition of Mg²(+), and then produces two products, in two steps: (Step 1) Reaction of Rubisco with RuBP produces a Rubisco-enediol complex, which is the carboxylase-oxygenase enzyme (Enco) and (Step 2) Enco captures CO₂ and/or O₂ and produces intermediate products leading to production and release of 3-phosphoglycerate (PGA) and Rubisco. PGA interactively controls (1) the carboxylation-oxygenation, (2) electron transport, and (3) triosephosphate pathway of the Calvin-Benson cycle that leads to the release of glucose and regeneration of RuBP. Initially, the total enzyme participates in the two steps of the reaction transitionally and its rate follows Michaelis-Menten kinetics. But, for a continuous steady state, Rubisco must be divided into two concurrently active segments for the two steps. This causes a deviation of the steady state from the transitional rate. Kinetic models are developed that integrate the transitional and the steady state reactions. They are tested and successfully validated with verifiable experimental data. The single-process theory is compared to the widely used two-process theory of Farquhar et al. (1980. Planta 149, 78-90), which assumes that the carboxylation rate is either Rubisco-limited at low CO₂ levels such as CO₂ compensation point, or RuBP regeneration-limited at high CO₂. Since the photosynthesis rate cannot increase beyond the two-process theory's Rubisco limit at the CO₂ compensation point, net photosynthesis cannot increase above zero in daylight, and since there is always respiration at
Poli, D. de C.R.; Mesquita, C.H. de
1999-01-01
The compartmental analysis was used for evaluation of kinetic parameters of the rainfall infiltration and determination of ground water recharge in Abadia-Goiania-Brazil. A model containing 13 compartments was proposed to explain the water infiltration and the kinetics of the unsaturated zone. To validate the model, tracer injections were carried out at a representative site of the region, at a depth of 50 cm, below the root zone. Soil samples were taken 4,9 and 12 months after the injection. In the first compartment, one component of the evaporation (K 4,0 ) was considered and for the last compartment, one constant of removal for the water table (k 13,0 ). Compartments 1, 2 and 3 were added to the system to consider precipitation effect. The AnaComp program, developed at IPEN, was used to determine the transfer constants k i,j ( from compartment i to compartment j)were i and j range from 0 to 13. In this program the constants k i,j were determined by the nonlinear last squares method, using eigenvalues - eigenvectors routines or alternatively, the fourth order Runge-Kutta routine. In this compartment model, the radioactive tracer was introduced as a single pulse, into the 6th compartment (50 cm depth). This permits to characterize the tracer diffusion processes in the soil studied. The adopted model showed an explanation coefficient f 2 equal to 0.78, which is satisfactory for the methodology used. (author)
Radhakrishnan, Krishnan
1994-01-01
LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 1 of a series of three reference publications that describe LENS, provide a detailed guide to its usage, and present many example problems. Part 1 derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved. The accuracy and efficiency of LSENS are examined by means of various test problems, and comparisons with other methods and codes are presented. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.
Jeffery, Kathleen A; Pelaez, Nancy; Anderson, Trevor R
2018-01-01
To keep biochemistry instruction current and relevant, it is crucial to expose students to cutting-edge scientific research and how experts reason about processes governed by thermodynamics and kinetics such as protein folding and dynamics. This study focuses on how experts explain their research into this topic with the intention of informing instruction. Previous research has modeled how expert biologists incorporate research methods, social or biological context, and analogies when they talk about their research on mechanisms. We used this model as a guiding framework to collect and analyze interview data from four experts. The similarities and differences that emerged from analysis indicate that all experts integrated theoretical knowledge with their research context, methods, and analogies when they explained how phenomena operate, in particular by mapping phenomena to mathematical models; they explored different processes depending on their explanatory aims, but readily transitioned between different perspectives and explanatory models; and they explained thermodynamic and kinetic concepts of relevance to protein folding in different ways that aligned with their particular research methods. We discuss how these findings have important implications for teaching and future educational research. © 2018 K. A. Jeffery et al. CBE—Life Sciences Education © 2018 The American Society for Cell Biology. This article is distributed by The American Society for Cell Biology under license from the author(s). It is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).
Selected readings in chemical kinetics
Back, Margaret H
2013-01-01
Selected Readings in Chemical Kinetics covers excerpts from 12 papers in the field of general and gas-phase kinetics. The book discusses papers on the laws of connexion between the conditions of a chemical change and its amount; on the reaction velocity of the inversion of the cane sugar by acids; and the calculation in absolute measure of velocity constants and equilibrium constants in gaseous systems. The text then tackles papers on simple gas reactions; on the absolute rate of reactions in condensed phases; on the radiation theory of chemical action; and on the theory of unimolecular reacti
Bose-Einstein-condensed gases with arbitrary strong interactions
Yukalov, V. I.; Yukalova, E. P.
2006-01-01
Bose-condensed gases are considered with an effective interaction strength varying in the whole range of the values between zero and infinity. The consideration is based on the usage of a representative statistical ensemble for Bose systems with broken global gauge symmetry. Practical calculations are illustrated for a uniform Bose gas at zero temperature, employing a self-consistent mean-field theory, which is both conserving and gapless
Bose-Einstein condensation in atomic alkali gases
Dodd, Robert J.
1998-05-01
I present a review of the time-independent Gross-Pitaevskii (GP), Bogoliubov, and finite-temperature Hartree-Fock-Bogoliubov (HFB) mean-field theories used to study trapped, Bose-Einstein condensed alkali gases. Numerical solutions of the (zero-temperature) GP equation are presented for attractive (negative scattering length) and repulsive (positive scattering length) interactions. Comparison is made with the Thomas-Fermi and (variational) trial wavefunction appr oximations that are used in the literature to study condensed gases. Numerical calculations of the (zero-temperature) Bogoliubov quasi-particle excitation frequencies are found to be in excellent agreement with the experimental results. The finite-temperature properties of condensed gases are examined using the Popov approximation (of the HFB theory) and a simple two-gas model. Specific, quantitative comparisons are made with experimental results for finite-temperature excitation frequencies. Qualitative comparisons are made between the results of the Popov approximation, two-gas model, and other published models for condensate fraction and thermal density distribution. The time-independent mean-field theories are found to be in excellent agreement with experimental results at relatively low temperatures (high condensate fractions). However, at higher temperatures (and condensate fractions of less than 50%) there are significant discrepancies between experimental data and theoretical calculations. This work was undertaken at the University of Maryland at College Park and was supported in part by the National Science Foundation (PHY-9601261) and the U.S. Office of Naval Research.
Mezzache, S; Pepe, C; Karoyan, P; Fournier, F; Tabet, J-C
2005-01-01
The proton affinity (PA) of cis/trans-3-prolinoleucines and cis/trans-3-prolinoglutamic acids have been studied by the kinetic method and density functional theory (DFT) calculations. Several conformations of the neutral and the protonated modified prolines, in particular the endo and exo ring conformations, were analyzed with respect to their contribution to the PA values. When the substituent is an alkyl, both the diastereoisomers have the same PA value. However, the PA values for the diastereoisomers are different when the substituted chain contains functional groups (e.g. a carboxyl group). This variation in PA values could be attributed to the existence of intramolecular hydrogen bonds. Copyright (c) 2005 John Wiley & Sons, Ltd.
Essential Characteristics of Plasma Antennas Filled with He-Ar Penning Gases
Sun Naifeng; Li Wenzhong; Wang Shiqing; Li Jian; Ci Jiaxiang
2012-01-01
Based on the essential theory of Penning gases, the discharge characteristics of He-Ar Penning gases in insulating tubes were analyzed qualitatively. The relation between the effective length of an antenna column filled with He-Ar Penning gases and the applied radio frequency (RF) power was investigated both theoretically and experimentally. The distribution of the plasma density along the antenna column in different conditions was studied. The receiving characteristics of local frequency modulated (FM) electromagnetic waves by the plasma antenna filled with He-Ar Penning gases were compared with those by an aluminum antenna with the same dimensions. Results show that it is feasible to take plasma antennas filled with He-Ar Penning gases as receiving antennas.
Phase Transitions in Definite Total Spin States of Two-Component Fermi Gases.
Yurovsky, Vladimir A
2017-05-19
Second-order phase transitions have no latent heat and are characterized by a change in symmetry. In addition to the conventional symmetric and antisymmetric states under permutations of bosons and fermions, mathematical group-representation theory allows for non-Abelian permutation symmetry. Such symmetry can be hidden in states with defined total spins of spinor gases, which can be formed in optical cavities. The present work shows that the symmetry reveals itself in spin-independent or coordinate-independent properties of these gases, namely as non-Abelian entropy in thermodynamic properties. In weakly interacting Fermi gases, two phases appear associated with fermionic and non-Abelian symmetry under permutations of particle states, respectively. The second-order transitions between the phases are characterized by discontinuities in specific heat. Unlike other phase transitions, the present ones are not caused by interactions and can appear even in ideal gases. Similar effects in Bose gases and strong interactions are discussed.
Greenhouse Gases and Animal Agriculture
Takahashi, J. (ed.) [Department of Animal Science, Obihiro University of Agriculture and Veterinary Medicine, Obihiro, Hokkaido (Japan); Young, B.A. (ed.) [The University of Queensland, Gatton, Queensland 4343 (Australia)
2002-07-01
Reports from interdisciplinary areas including microbiology, biochemistry, animal nutrition, agricultural engineering and economics are integrated in this proceedings. The major theme of this book is environmental preservation by controlling release of undesirable greenhouse gases to realize the sustainable development of animal agriculture. Technology exists for the effective collection of methane generated from anaerobic fermentation of animal effluent and its use as a biomass energy source. Fossil fuel consumption can be reduced and there can be increased use of locally available energy sources. In addition, promoting environmentally-conscious agriculture which does not rely on the chemical fertilizer can be realized by effective use of animal manure and compost products.
Long- and short-lived electrons with anomalously high collision rates in laser-ionized gases
Kampfrath, Tobias; Perfetti, Luca; Tegeder, Petra; Wolf, Martin; Frischkorn, Christian; Gericke, Dirk O.
2007-01-01
Ultrashort broadband terahertz pulses are applied to probe the electron dynamics of gaseous Ar and O 2 following ionization by an intense femtosecond laser pulse. The conductivity in the plasma center is extracted by a modified Wentzel-Kramers-Brillouin approach. It exhibits a nearly perfect Drude-like spectral shape and yields the temporal evolution of the free-electron density and collision rate. While the electron density in the Ar plasma remains nearly constant during the first 200 ps after generation, it decays much faster in O 2 due to dissociative recombination which is only possible in molecular plasmas. Adding a small amount of the electron scavenger SF 6 to Ar reduces the electron lifetime in the plasma dramatically and allows us to determine the electron temperature to about 20 000 K. Furthermore, anomalously high, metal-like electron collision rates of up to 25 THz are found. Kinetic plasma theory substantially underestimates these rates pointing towards additional and more complex processes randomizing the total electronic momentum. Our results are relevant to both lightning control and generation of terahertz radiation by intense laser pulses in gases
High order harmonic generation in rare gases
Budil, Kimberly Susan [Univ. of California, Davis, CA (United States)
1994-05-01
The process of high order harmonic generation in atomic gases has shown great promise as a method of generating extremely short wavelength radiation, extending far into the extreme ultraviolet (XUV). The process is conceptually simple. A very intense laser pulse (I ~10^{13}-10^{14} W/cm^{2}) is focused into a dense (~10^{17} particles/cm^{3}) atomic medium, causing the atoms to become polarized. These atomic dipoles are then coherently driven by the laser field and begin to radiate at odd harmonics of the laser field. This dissertation is a study of both the physical mechanism of harmonic generation as well as its development as a source of coherent XUV radiation. Recently, a semiclassical theory has been proposed which provides a simple, intuitive description of harmonic generation. In this picture the process is treated in two steps. The atom ionizes via tunneling after which its classical motion in the laser field is studied. Electron trajectories which return to the vicinity of the nucleus may recombine and emit a harmonic photon, while those which do not return will ionize. An experiment was performed to test the validity of this model wherein the trajectory of the electron as it orbits the nucleus or ion core is perturbed by driving the process with elliptically, rather than linearly, polarized laser radiation. The semiclassical theory predicts a rapid turn-off of harmonic production as the ellipticity of the driving field is increased. This decrease in harmonic production is observed experimentally and a simple quantum mechanical theory is used to model the data. The second major focus of this work was on development of the harmonic "source". A series of experiments were performed examining the spatial profiles of the harmonics. The quality of the spatial profile is crucial if the harmonics are to be used as the source for experiments, particularly if they must be refocused.
Chemical Kinetic Modeling of 2-Methylhexane Combustion
Mohamed, Samah Y.; Sarathy, Mani
2015-01-01
necessity, as new experiments and advanced theories show inaccuracy in certain portions of the models. This study focuses on updating thermodynamic data and kinetic model for a gasoline surrogate fuel, 2-methylhexane, with recently published group values
S. Yahaya
2009-05-01
Full Text Available This paper deals with the characteristics of the atmospheric turbulent flow in the vicinity of the ground, and particularly with the profile of the horizontal wind variance. The study is based on experimental measurements performed with fast cup anemometers located near the ground at 5 different levels (from 0.25 to 4 m and sampled at 1 Hz. The experiment was carried over two agricultural plots with various tillage treatments in a fallow semiarid area (Central Aragon, Spain. The results of this study reveal that near the ground surface and under moderate wind, the horizontal wind variance logarithmically increases with height, in direct relationship with the friction velocity and the roughness length scale. A theoretical development has allowed us to link this behaviour to the modeling of the turbulent kinetic energy (TKE transport through the eddy diffusivity. Thus, the study proposes a formulation of the similarity universal function of the horizontal wind variance. Besides, the formulation offers a new method for the determination of the friction velocity and the roughness length scale and can be used for the evaluation of the TKE transport rate.
Abisset-Chavanne, Emmanuelle; Duval, Jean Louis; Cueto, Elias; Chinesta, Francisco
2018-05-01
Traditionally, Simulation-Based Engineering Sciences (SBES) has relied on the use of static data inputs (model parameters, initial or boundary conditions, … obtained from adequate experiments) to perform simulations. A new paradigm in the field of Applied Sciences and Engineering has emerged in the last decade. Dynamic Data-Driven Application Systems [9, 10, 11, 12, 22] allow the linkage of simulation tools with measurement devices for real-time control of simulations and applications, entailing the ability to dynamically incorporate additional data into an executing application, and in reverse, the ability of an application to dynamically steer the measurement process. It is in that context that traditional "digital-twins" are giving raise to a new generation of goal-oriented data-driven application systems, also known as "hybrid-twins", embracing models based on physics and models exclusively based on data adequately collected and assimilated for filling the gap between usual model predictions and measurements. Within this framework new methodologies based on model learners, machine learning and kinetic goal-oriented design are defining a new paradigm in materials, processes and systems engineering.
Jin, Jae Sik [Chosun College of Science and Technology, Gwangju (Korea, Republic of)
2017-03-15
Phonon dynamics in nanostructure is critically important to thermoelectric and optoelectronic devices because it determines the transport and other crucial properties. However, accurately evaluating the phonon lifetimes is extremely difficult. This study reports on the development of a new semi-empirical method to estimate the full-spectrum phonon lifetimes in thin silicon films at room temperature based on the experimental data on the phonon mean-free-path spectrum in bulk silicon and a phenomenological consideration of phonon transport in thin films. The bulk of this work describes the theory and the validation; then, we discuss the trend of the phonon lifetimes in thin silicon films when their thicknesses decrease.
Schiffter, Heiko; Lee, Geoffrey
2007-09-01
The suitability of a single droplet drying acoustic levitator as a model for the spray drying of aqueous, pharmaceutically-relevant solutes used to produce protein-loaded particles has been examined. The acoustic levitator was initially evaluated by measuring the drying rates of droplets of pure water in dependence of drying-air temperature and flow rate. The measured drying rates were higher than those predicted by boundary layer theory because of the effects of primary acoustic streaming. Sherwood numbers of 2.6, 3.6, and 4.4 at drying-air temperatures of 25 degrees C, 40 degrees C, and 60 degrees C were determined, respectively. Acoustic levitation theory could predict the measured drying rates and Sherwood numbers only when a forced-convection drying-air stream was used to neuralize the retarding effect of secondary acoustic streaming on evaporation rate. At still higher drying-air flow rates, the Ranz-Marshall correlation accurately predicts Sherwood number, provided a stable droplet position in the standing acoustic wave is maintained. The measured Sherwood numbers and droplet Reynolds numbers show that experiments performed in the levitator in still air are taking place effectively under conditions of substantial forced convection. The similitude of these values to those occurring in spray dryers is fortuitous for the suitability of the acoustic levitator as a droplet evaporation model for spray drying. (c) 2007 Wiley-Liss, Inc. and the American Pharmacists Association.